data_2jo6_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 2jo6 _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 ' 3' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 121.541 0.686 . . . . 0.0 110.484 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -74.33 92.4 2.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.982 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -83.03 128.07 34.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.708 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.32 127.02 31.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.571 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 mm -99.87 -67.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.061 0.458 . . . . 0.0 110.047 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.6 p -166.78 174.08 8.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.769 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 60.8 mttp -78.61 143.73 36.13 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.101 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.409 HD13 HG23 ' A' ' 99' ' ' VAL . 17.3 tt -63.38 -13.4 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.515 -174.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.21 -29.14 69.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.37 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -71.84 -30.36 65.38 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.638 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.1 mt -90.42 107.89 18.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.094 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.29 158.79 44.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.106 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.23 134.02 43.2 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.122 2.548 . . . . 0.0 112.292 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.75 ' HA ' ' O ' ' A' ' 32' ' ' ARG . 1.8 pm0 36.99 68.99 0.23 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.248 0.968 . . . . 0.0 112.774 -172.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -140.15 157.9 44.89 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.609 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.5 140.81 12.51 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.233 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.51 157.73 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.542 0.21 . . . . 0.0 110.586 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -98.8 131.09 45.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 0.0 110.814 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.84 175.48 6.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.84 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.7 mt -125.01 117.51 24.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.817 0.341 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.1 tp -108.2 86.35 2.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 172.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.57 -103.19 1.39 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.118 -172.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -114.59 4.28 15.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.151 0.501 . . . . 0.0 110.174 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -90.6 117.64 29.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.665 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -79.94 103.97 10.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t -98.95 135.44 33.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.507 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 44' ' ' ASN . . . -96.9 110.14 22.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.974 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.458 HD11 HD12 ' A' ' 106' ' ' LEU . 58.1 mt -92.0 108.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.741 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.456 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 88.3 m-85 -105.39 118.59 36.96 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.61 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.75 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 75.8 ttt180 -97.61 100.04 7.58 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 168.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 68.0 Cg_endo -90.47 7.05 3.84 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.83 2.354 . . . . 0.0 113.439 -171.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.468 ' CZ ' HD13 ' A' ' 66' ' ' LEU . 66.6 m-85 -140.64 -168.81 2.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.262 0.553 . . . . 0.0 110.675 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -100.89 -15.98 17.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.57 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m -83.38 -164.82 0.95 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.026 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -84.5 9.71 12.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.588 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.539 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 73.1 mt-30 -82.32 111.99 18.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.613 -177.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 m -132.39 150.32 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.185 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -132.22 153.31 50.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.204 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.13 125.92 30.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 111.474 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.1 pt -131.48 -177.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.721 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 93' ' ' LYS . 22.0 t -65.97 132.5 48.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.476 HD22 HG11 ' A' ' 53' ' ' VAL . 13.7 t30 -81.88 -11.69 58.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 0.0 110.561 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.1 mt -123.77 134.29 66.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.598 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -93.55 148.44 35.48 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.49 -10.05 3.29 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.451 2.1 . . . . 0.0 114.346 -173.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -91.42 -56.21 3.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.005 0.431 . . . . 0.0 111.1 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 40.6 t80 -101.18 -27.6 13.13 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.374 -174.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 70.89 81.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.763 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.1 m -101.96 113.89 27.52 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 167.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -57.76 -36.45 72.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.931 -171.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.476 HG11 HD22 ' A' ' 44' ' ' ASN . 6.9 m -129.11 124.1 59.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.86 173.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.46 HD11 ' O ' ' A' ' 43' ' ' SER . 79.2 mt -91.93 -10.87 37.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.373 0.606 . . . . 0.0 109.514 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 m -74.86 1.8 11.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.662 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -103.97 40.56 1.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.89 164.65 24.72 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.0 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.92 140.45 37.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.898 0.38 . . . . 0.0 110.625 -175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -86.63 126.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.159 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.48 146.52 38.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.507 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -85.2 152.83 23.05 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.45 0.643 . . . . 0.0 112.082 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -163.98 129.72 3.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.2 165.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 72.97 7.02 5.41 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.88 0.737 . . . . 0.0 111.165 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.52 9.93 64.17 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.236 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -114.42 159.31 20.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 33' ' ' PRO . 39.3 mt -99.39 119.13 37.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.893 0.378 . . . . 0.0 110.54 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -117.59 134.18 55.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.817 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.7 p -96.43 119.98 45.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.59 122.54 43.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.748 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.447 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 15.9 m -86.17 115.41 61.84 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.083 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 21.0 Cg_exo -65.9 -6.95 15.38 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.488 2.792 . . . . 0.0 112.905 -175.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.98 -38.68 89.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.859 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.585 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -144.96 -113.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.93 176.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -140.71 25.14 2.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.718 0.294 . . . . 0.0 110.82 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -68.96 126.38 29.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.642 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -124.54 118.29 26.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.103 0.478 . . . . 0.0 110.55 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' A' ' 84' ' ' CYS . 63.1 m-85 -107.36 120.69 42.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.542 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.404 ' HD3' ' HB3' ' A' ' 83' ' ' LEU . 70.1 ttt180 -71.75 117.69 13.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.182 176.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.96 -17.06 59.88 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -171.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.85 -39.21 68.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.943 0.401 . . . . 0.0 111.485 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -144.15 -57.88 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.52 37.96 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 119.963 -1.113 . . . . 0.0 112.61 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.404 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 22.7 tp -88.91 99.42 12.39 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.881 0.372 . . . . 0.0 110.467 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 38.4 t -77.86 124.84 28.49 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 170.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -64.65 -15.69 61.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.196 0.522 . . . . 0.0 111.23 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -92.56 -29.62 16.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.519 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 21.4 t70 -107.04 10.42 30.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.047 -172.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' OE2' ' HG2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -49.97 -15.23 0.18 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -172.283 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG2' ' OE2' ' A' ' 88' ' ' GLU . 84.4 mm-40 -67.84 -38.99 83.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -110.12 -47.65 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.458 -174.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 m 76.83 144.36 0.08 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.774 0.83 . . . . 0.0 110.534 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.4 m -90.9 169.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.462 0.649 . . . . 0.0 112.429 -170.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 20.0 tptm -63.46 129.33 39.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.829 -178.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -118.44 133.99 55.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -118.5 154.28 32.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -91.23 134.33 34.65 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.761 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.59 130.11 49.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.891 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -131.6 151.73 51.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.207 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.409 HG23 HD13 ' A' ' 10' ' ' ILE . 61.3 t -99.6 97.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.035 175.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -101.74 113.89 27.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.363 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 61.18 24.82 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.218 0.532 . . . . 0.0 110.231 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.86 9.13 78.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.501 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 40.0 t -112.49 130.6 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.93 0.365 . . . . 0.0 110.245 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.9 t -76.99 121.12 28.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.23 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -118.98 142.99 47.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.508 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.458 HD12 HD11 ' A' ' 30' ' ' ILE . 82.9 mt -114.59 138.94 50.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.573 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 19.6 ttp85 -120.54 132.35 55.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.885 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 176.896 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 120.705 0.288 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.551 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 96.5 m95 -56.08 115.52 2.47 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.794 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -112.25 122.56 48.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.595 178.793 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.435 ' HB2' HG11 ' A' ' 103' ' ' VAL . 5.6 p-10 -72.65 127.47 32.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.467 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.1 mm -102.16 -73.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.338 0.589 . . . . 0.0 110.771 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 80.9 m -143.35 177.7 8.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.021 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 35.6 mtmm -84.28 155.07 22.6 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.944 0.402 . . . . 0.0 110.743 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.427 HD13 ' HD2' ' A' ' 32' ' ' ARG . 9.9 tp -68.8 -20.17 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.594 0.712 . . . . 0.0 110.008 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.27 -14.62 63.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.72 -33.06 20.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.156 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -94.71 115.11 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.474 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.9 164.65 51.94 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.321 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.57 135.63 71.47 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.533 2.156 . . . . 0.0 112.54 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 62.17 37.4 14.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.045 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -124.1 142.95 50.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.612 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.77 137.13 12.58 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.88 161.3 20.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.845 0.355 . . . . 0.0 110.983 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.2 m -101.13 119.97 39.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.534 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.55 172.2 9.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.541 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.0 mt -125.82 135.12 51.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.644 0.259 . . . . 0.0 110.573 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.0 tp -131.12 113.88 14.44 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.75 -100.68 0.57 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.28 -174.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.68 -4.69 7.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.294 0.109 . . . . 0.0 111.294 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -102.83 149.45 24.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.986 0.422 . . . . 0.0 110.807 -173.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -85.19 125.2 32.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.748 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.7 t -115.04 131.31 67.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.825 0.345 . . . . 0.0 110.412 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.417 ' N ' ' HB2' ' A' ' 44' ' ' ASN . . . -97.68 118.88 35.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.844 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.4 mt -103.79 112.44 37.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.419 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 97.9 m-85 -106.86 129.09 54.75 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.514 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.427 ' HD2' HD13 ' A' ' 10' ' ' ILE . 76.2 ttt180 -107.96 100.08 34.12 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 172.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.511 ' HB2' HD11 ' A' ' 66' ' ' LEU . 7.0 Cg_endo -86.63 -31.04 0.3 Allowed 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.291 2.661 . . . . 0.0 112.711 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -90.63 163.38 14.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 0.0 110.685 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -88.58 -5.22 58.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.241 176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.8 p -91.3 -158.12 0.54 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.227 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' HB2' ' HB ' ' A' ' 99' ' ' VAL . 8.6 p-10 -91.42 6.18 46.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.934 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -78.67 110.89 14.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.185 0.517 . . . . 0.0 111.209 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.4 158.23 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.373 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -132.81 146.93 52.24 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.71 136.78 47.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 0.0 111.361 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.6 pt -136.44 177.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.085 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 93' ' ' LYS . 14.3 p -65.18 124.07 21.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.417 ' HB2' ' N ' ' A' ' 29' ' ' ALA . 65.3 t30 -85.67 3.38 41.25 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -174.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.4 mm -127.45 117.67 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -81.34 120.65 78.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 121.178 0.513 . . . . 0.0 110.045 174.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 14.4 Cg_endo -91.96 -6.59 3.41 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.331 2.687 . . . . 0.0 113.479 -177.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -91.48 -54.21 4.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.962 0.411 . . . . 0.0 110.595 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 73' ' ' LYS . 90.9 t80 -92.07 -16.54 26.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 52.5 mt-10 65.97 50.72 1.44 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.568 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -102.4 129.34 48.85 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 169.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.2 m -76.44 -107.72 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.06 124.46 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.496 0.665 . . . . 0.0 112.465 -170.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.0 mt -89.65 -3.36 58.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.061 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -62.35 -21.6 65.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.924 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -88.18 40.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.395 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.444 ' HA2' ' HD2' ' A' ' 71' ' ' PRO . . . -134.37 162.83 24.63 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.879 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.52 141.27 32.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.911 0.386 . . . . 0.0 110.927 -174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 33' ' ' PRO . 59.4 mt -99.11 125.13 52.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.205 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.0 163.72 28.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 0.0 111.113 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.02 119.18 38.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -90.39 -70.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.647 0.26 . . . . 0.0 110.625 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.56 83.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.068 0.461 . . . . 0.0 110.221 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.93 80.82 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.755 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -148.68 149.12 30.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.242 0.544 . . . . 0.0 111.0 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 33' ' ' PRO . 20.4 mt -97.33 122.69 40.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.758 -175.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.438 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 45.2 m95 -120.71 136.18 54.93 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.803 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' A' ' 77' ' ' PHE . 7.0 p -102.08 113.96 40.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.452 0.644 . . . . 0.0 109.916 176.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.04 114.27 26.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.187 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.0 m -86.8 115.01 60.93 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.229 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.444 ' HD2' ' HA2' ' A' ' 57' ' ' GLY . 43.6 Cg_endo -67.86 0.01 4.86 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.049 2.499 . . . . 0.0 112.033 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' O ' ' HE3' ' A' ' 73' ' ' LYS . 70.2 mt -58.97 -37.6 77.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.907 174.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.683 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -151.41 -103.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.869 174.746 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' H ' ' HB3' ' A' ' 73' ' ' LYS . 54.2 mtmt -145.16 27.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.419 0.628 . . . . 0.0 109.855 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.48 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 7.3 mp0 -83.1 112.57 19.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.484 -177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.599 ' HD3' ' HB3' ' A' ' 85' ' ' MET . 0.0 OUTLIER -106.78 112.26 25.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 75' ' ' GLN . 93.5 m-85 -100.8 134.73 43.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.369 0.604 . . . . 0.0 111.306 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.893 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 67.6 ttt180 -82.98 111.61 18.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.39 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -27.68 61.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.947 0.403 . . . . 0.0 111.195 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p -79.98 -9.2 59.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.233 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.893 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 8.4 t70 -149.94 -62.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -175.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.41 -17.95 3.29 Favored Glycine 0 C--N 1.323 -0.182 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.348 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.45 HD12 ' OG ' ' A' ' 91' ' ' SER . 14.3 tp -52.92 125.41 16.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.436 -0.382 . . . . 0.0 111.289 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.23 134.18 34.15 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.599 ' HB3' ' HD3' ' A' ' 76' ' ' ARG . 15.2 ttt -64.58 -32.62 74.35 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.3 -175.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.42 -48.83 6.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.534 0.683 . . . . 0.0 110.494 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -88.42 10.74 19.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.741 -173.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.74 -32.36 0.06 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -60.92 -28.33 68.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.138 0.494 . . . . 0.0 110.575 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -105.71 -65.41 1.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.444 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.45 ' OG ' HD12 ' A' ' 83' ' ' LEU . 62.6 m 69.47 149.47 0.08 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.028 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.462 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 17.3 m -92.96 -169.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.957 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 85.0 tttt -95.29 139.7 31.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.68 -173.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -120.69 135.32 55.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.961 0.41 . . . . 0.0 110.824 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -112.91 160.88 17.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.814 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.88 124.68 45.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 174.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.74 147.08 45.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.984 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.551 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 9.2 ptm85 -148.5 162.79 38.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.344 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 37' ' ' ASP . 98.2 t -104.79 113.74 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.962 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -124.07 125.01 43.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.989 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 63.85 17.99 10.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.392 0.615 . . . . 0.0 109.6 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.8 16.53 67.76 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.727 -174.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 65.6 t -121.97 134.89 63.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.767 0.317 . . . . 0.0 110.634 -175.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.33 122.51 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 79.0 mt-30 -117.59 144.04 45.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.094 177.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.5 mt -113.47 136.36 52.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -120.33 119.97 34.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.905 173.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.133 179.074 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.404 ' NE1' ' HD3' ' A' ' 107' ' ' ARG . 85.1 m95 -87.1 99.2 11.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.33 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -79.78 129.65 34.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.204 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.439 ' HB2' HG13 ' A' ' 103' ' ' VAL . 7.8 p-10 -80.64 126.73 31.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.189 0.519 . . . . 0.0 109.705 174.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -93.01 -69.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.163 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -154.53 167.23 30.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.394 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -67.15 150.99 48.38 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 tp -58.98 -21.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 111.074 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.16 -19.7 63.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.461 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.94 -27.56 60.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.63 HD13 HG22 ' A' ' 104' ' ' VAL . 20.4 mt -111.65 100.41 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.011 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.17 162.47 69.13 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.241 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.53 147.64 90.71 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.248 1.965 . . . . 0.0 111.761 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 63.44 25.76 14.64 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 123.594 0.559 . . . . 0.0 110.699 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.4 m -122.96 145.62 48.32 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.915 0.388 . . . . 0.0 111.751 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.38 131.09 7.98 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.156 -0.545 . . . . 0.0 111.884 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 m -118.94 175.83 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.836 0.351 . . . . 0.0 110.79 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 p -121.11 140.41 52.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.13 -177.31 5.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.498 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 23' ' ' LEU . 4.4 tt -130.56 127.9 40.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD23 ' CD2' ' A' ' 95' ' ' TYR . 57.5 tp -127.39 111.85 14.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.113 0.483 . . . . 0.0 110.322 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.94 -93.59 1.29 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.102 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -126.1 -25.95 3.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.739 0.304 . . . . 0.0 110.933 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.18 167.26 9.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.197 0.522 . . . . 0.0 111.385 -170.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -92.57 131.46 37.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.542 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -115.83 138.07 47.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.501 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -102.25 120.18 40.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.773 177.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.484 HD11 HD12 ' A' ' 106' ' ' LEU . 52.2 mt -106.14 114.88 46.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.16 -177.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.16 130.13 55.73 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.768 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -112.85 99.6 48.65 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.43 -40.68 0.32 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.029 2.486 . . . . 0.0 112.372 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -90.14 161.5 15.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.182 0.515 . . . . 0.0 111.553 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -78.06 -11.25 59.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.348 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.4 m -86.44 -166.63 1.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.772 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -92.24 30.29 1.49 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -97.03 110.77 23.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.788 0.327 . . . . 0.0 110.602 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 m -122.11 150.55 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.491 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.58 139.1 52.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.053 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.18 127.31 46.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.966 0.413 . . . . 0.0 111.489 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.28 -176.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.957 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.519 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 15.2 m -68.84 139.77 55.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.457 HD22 HG13 ' A' ' 53' ' ' VAL . 66.6 t30 -87.37 -1.53 57.98 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -172.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.0 mt -113.82 128.11 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.034 0.445 . . . . 0.0 111.873 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.716 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.6 OUTLIER -88.42 128.26 53.75 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.511 174.771 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -86.63 -7.96 7.33 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.873 2.382 . . . . 0.0 113.838 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 87' ' ' ASP . 75.8 m-85 -80.12 -60.8 2.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 0.0 111.466 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 73' ' ' LYS . 99.1 m-85 -112.59 10.65 19.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.965 0.412 . . . . 0.0 110.417 -175.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 61.37 73.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.066 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.716 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 15.3 m -102.42 116.39 32.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.525 -0.761 . . . . 0.0 108.994 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 p -71.45 -31.34 67.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.312 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.457 HG13 HD22 ' A' ' 44' ' ' ASN . 14.8 m -128.43 124.61 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.114 0.483 . . . . 0.0 111.082 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 46' ' ' ASP . 74.6 mt -90.77 -8.22 50.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.52 . . . . 0.0 109.683 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -64.56 -15.72 61.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.145 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -91.61 39.37 1.0 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.479 0.656 . . . . 0.0 110.008 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.426 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.81 158.74 23.64 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.832 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.679 ' H ' HD21 ' A' ' 58' ' ' LEU . 2.5 pt? -98.63 145.94 26.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.7 mt -92.96 109.67 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.322 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -119.08 122.21 41.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.554 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -73.88 130.28 39.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.021 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.642 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 36.9 m80 -135.07 117.07 15.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.601 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 62.93 21.8 13.08 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.842 0.714 . . . . 0.0 111.763 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.8 -16.43 56.08 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.705 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -100.34 149.43 23.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.682 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.7 mt -90.16 108.53 19.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.441 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.642 ' CD1' ' HB2' ' A' ' 62' ' ' HIS . 76.0 m95 -109.93 130.73 55.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.084 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -96.6 124.6 49.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -103.06 123.01 45.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.618 -176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.44 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 14.6 m -85.49 111.63 38.37 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.437 178.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 11.9 Cg_exo -71.89 -0.45 8.46 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.491 2.794 . . . . 0.0 112.75 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.43 -32.52 73.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 39.8 tptt -150.81 -75.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 172.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 73' ' ' LYS . 3.6 tppp? 169.98 71.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.167 0 O-C-N 124.117 0.886 . . . . 0.0 109.855 171.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.57 144.32 29.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -121.53 115.4 22.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.17 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -115.97 136.45 53.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.808 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 53.4 ttt180 -93.09 101.74 14.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.281 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.92 -37.57 87.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.835 -173.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 m -56.16 -35.14 66.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.649 -172.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -126.96 -23.93 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.894 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.742 ' HA3' ' HB2' ' A' ' 94' ' ' HIS . . . 105.14 -0.13 41.09 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.091 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.436 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 21.5 tp -70.34 150.35 46.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 52.8 t -105.87 146.0 30.5 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 170.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.407 ' HB3' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -66.95 -56.62 9.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.88 0.372 . . . . 0.0 110.741 -176.662 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.407 ' OE1' ' HB3' ' A' ' 85' ' ' MET . 2.1 mp0 -79.73 -31.01 41.05 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 3.8 t70 -95.02 10.78 34.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.616 0.246 . . . . 0.0 110.996 -175.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -40.38 -27.73 0.05 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -53.43 -45.94 69.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.207 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -124.35 -56.26 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.583 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.1 m 68.24 -173.35 0.19 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.996 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.519 ' HB ' ' HB2' ' A' ' 43' ' ' SER . 26.9 m -95.02 174.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.074 -176.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -89.6 118.95 29.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.742 ' HB2' ' HA3' ' A' ' 82' ' ' GLY . 53.9 t-80 -90.91 126.08 35.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.661 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.479 ' CD2' HD23 ' A' ' 23' ' ' LEU . 84.4 m-85 -96.48 166.42 11.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.66 0.267 . . . . 0.0 110.415 -178.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -90.9 115.82 28.24 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.57 150.61 47.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.817 0.341 . . . . 0.0 111.741 -174.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -165.82 170.91 13.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.422 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.6 t -104.69 110.88 32.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.991 0.424 . . . . 0.0 110.192 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.556 ' CB ' ' HG3' ' A' ' 105' ' ' GLN . 21.6 ttpp -106.45 116.23 31.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.078 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.447 ' OD2' ' HG2' ' A' ' 100' ' ' LYS . 15.7 m-20 63.95 17.65 10.7 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.424 0.452 . . . . 0.0 110.837 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.73 12.35 60.86 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.068 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' A' ' 6' ' ' ASP . 59.3 t -116.58 137.6 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.63 HG22 HD13 ' A' ' 13' ' ' ILE . 47.1 t -74.25 120.91 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.788 0.328 . . . . 0.0 110.351 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.556 ' HG3' ' CB ' ' A' ' 100' ' ' LYS . 4.7 mm100 -117.29 136.61 52.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.519 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 30' ' ' ILE . 77.4 mt -122.45 128.59 51.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.271 0.357 . . . . 0.0 110.596 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.404 ' HD3' ' NE1' ' A' ' 4' ' ' TRP . 18.5 ttp180 -110.14 120.03 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.428 0.632 . . . . 0.0 110.445 173.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.903 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.72 174.865 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 88.6 m95 -52.29 109.03 0.34 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.204 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.47 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -78.33 112.0 14.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.101 -175.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.95 111.88 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 170.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.1 mm -88.75 -76.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.237 0.541 . . . . 0.0 110.392 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.9 m -150.47 173.24 14.29 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 94.6 mttt -79.54 142.82 35.4 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.838 0.352 . . . . 0.0 110.302 178.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.503 HD13 ' HD2' ' A' ' 32' ' ' ARG . 10.1 tp -71.76 -6.7 7.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.683 0.754 . . . . 0.0 109.936 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.84 -26.42 65.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.216 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.51 -44.88 16.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.359 0.6 . . . . 0.0 110.608 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.5 mt -77.25 106.0 6.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.501 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.64 165.22 47.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.69 145.25 98.63 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.282 1.988 . . . . 0.0 111.818 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.43 26.85 15.05 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.109 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -118.77 138.18 52.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.952 0.405 . . . . 0.0 111.421 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -118.82 136.69 12.26 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -121.74 166.61 16.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.647 0.261 . . . . 0.0 110.972 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.9 m -112.33 108.4 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.021 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.53 -179.38 3.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.409 HD21 ' N ' ' A' ' 23' ' ' LEU . 2.4 tt -123.05 126.82 47.83 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 22' ' ' LEU . 7.6 tt -124.22 100.86 6.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.27 -87.31 0.4 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.96 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -126.55 -23.78 3.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.96 0.41 . . . . 0.0 110.756 177.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -90.61 158.94 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -103.26 124.31 48.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.505 0.669 . . . . 0.0 110.356 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.5 t -109.71 135.81 47.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.694 -174.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -92.82 115.88 28.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.607 176.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.413 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 61.8 mt -102.73 119.8 51.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.793 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.42 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 99.4 m-85 -112.33 123.08 49.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.503 ' HD2' HD13 ' A' ' 10' ' ' ILE . 72.1 ttt180 -100.64 100.22 11.93 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 169.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HB2' HD12 ' A' ' 66' ' ' LEU . 72.7 Cg_endo -87.16 -31.19 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.831 2.354 . . . . 0.0 113.299 -175.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.89 175.04 5.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.801 0.334 . . . . 0.0 110.386 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -86.72 -19.35 29.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 t -82.16 -165.3 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.101 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.5 ' HB2' HG23 ' A' ' 99' ' ' VAL . 5.9 p-10 -92.16 17.32 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.08 0.467 . . . . 0.0 111.335 -176.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.413 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 6.9 tp60 -80.91 107.62 13.88 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.6 m -127.01 163.55 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 111.418 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -136.06 153.04 51.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.706 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.43 130.46 23.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.955 0.407 . . . . 0.0 111.304 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.524 HG21 ' HA ' ' A' ' 94' ' ' HIS . 6.4 pt -140.59 176.55 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.417 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.585 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 15.0 p -60.56 125.33 23.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.476 0.179 . . . . 0.0 111.085 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.466 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 54.1 t30 -68.91 -42.13 77.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.042 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 51' ' ' SER . 60.5 mt -88.72 113.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.91 0.386 . . . . 0.0 110.605 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.714 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER -69.88 120.06 75.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.362 173.042 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 84.1 Cg_endo -86.84 -7.39 7.33 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.996 2.464 . . . . 0.0 113.629 -173.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -91.47 -56.07 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.839 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -95.82 -9.06 32.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.079 0.466 . . . . 0.0 110.041 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 68.11 73.73 0.29 Allowed 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.948 -175.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.714 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 17.4 m -107.41 114.01 27.74 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -69.95 -29.54 66.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 t -125.14 123.83 66.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.853 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 44' ' ' ASN . 15.9 tp -92.34 -23.51 19.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -68.46 -9.17 47.0 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.028 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 17.2 ttm180 -90.03 40.9 1.02 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.418 0.628 . . . . 0.0 110.043 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.79 164.64 24.69 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.914 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 pp -107.95 151.53 25.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.856 0.36 . . . . 0.0 110.949 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.1 mt -94.77 115.01 32.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.17 143.46 45.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 168.24 18.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.071 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.595 ' HD2' ' HG2' ' A' ' 63' ' ' GLN . 56.8 t60 -139.71 -56.56 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.632 0.253 . . . . 0.0 110.376 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.595 ' HG2' ' HD2' ' A' ' 62' ' ' HIS . 4.1 pt20 -168.18 31.78 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.358 0.599 . . . . 0.0 110.005 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.23 30.74 2.4 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -138.72 151.41 47.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -174.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 33' ' ' PRO . 71.5 mt -111.59 101.95 10.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.258 0.551 . . . . 0.0 110.296 176.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.547 ' HB2' HH21 ' A' ' 76' ' ' ARG . 76.7 m95 -102.66 137.08 41.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.867 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.62 119.5 44.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.95 121.84 43.37 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.787 -176.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.443 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 45.5 t -82.52 109.86 18.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.757 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 14.4 Cg_exo -69.59 -8.01 22.48 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.209 2.606 . . . . 0.0 112.005 -177.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.91 -27.41 68.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.745 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -138.07 -92.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.371 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -176.11 22.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.016 0.526 . . . . 0.0 109.806 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -82.28 128.01 33.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.243 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.547 HH21 ' HB2' ' A' ' 67' ' ' TRP . 25.6 mtp180 -112.87 123.84 51.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.931 0.396 . . . . 0.0 110.264 177.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -111.41 143.46 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.434 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -89.2 114.37 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.5 mt -54.53 -32.04 57.43 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -171.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.9 p -65.52 -41.11 93.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -173.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -109.41 -16.82 13.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.741 0.305 . . . . 0.0 111.414 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 91' ' ' SER . . . 73.5 26.68 69.31 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -169.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' A' ' 88' ' ' GLU . 5.0 tp -90.09 136.33 33.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.799 -0.701 . . . . 0.0 110.523 -174.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 87' ' ' ASP . 24.0 t -86.31 147.76 25.92 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ttt -57.02 -67.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -92.42 -18.47 23.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.474 ' HB2' ' SG ' ' A' ' 84' ' ' CYS . 13.1 m-20 -95.77 10.8 35.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.269 -174.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.46 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.0 pt-20 -33.89 -41.65 0.1 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -170.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -66.56 -31.91 72.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.904 0.775 . . . . 0.0 111.224 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -107.3 42.09 1.38 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.492 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' A' ' 82' ' ' GLY . 73.1 m -71.65 178.02 3.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.068 0.461 . . . . 0.0 111.919 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.585 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 35.4 m -91.02 -175.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.432 -174.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 45.0 tttp -88.59 124.58 34.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.259 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.524 ' HA ' HG21 ' A' ' 42' ' ' ILE . 21.9 t-80 -107.53 128.84 54.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 111.108 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.448 ' OH ' ' HD3' ' A' ' 93' ' ' LYS . 83.0 m-85 -107.26 167.26 10.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.077 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -95.38 132.11 40.78 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.88 147.38 47.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.892 0.377 . . . . 0.0 111.619 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -155.43 157.57 37.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.862 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 37' ' ' ASP . 85.4 t -105.73 112.55 39.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.338 0.59 . . . . 0.0 110.639 177.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -91.06 90.44 7.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.444 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 57.0 23.18 8.05 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.693 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.29 -7.73 26.78 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.762 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 48.1 t -103.87 129.06 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.802 0.301 . . . . 0.0 110.509 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.5 122.22 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 122.361 -0.212 . . . . 0.0 110.689 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.499 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 61.0 mt-30 -117.78 143.63 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.617 0.246 . . . . 0.0 110.377 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.2 mt -128.15 139.96 52.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -113.72 113.61 25.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 171.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.722 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.257 -178.217 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.415 ' CD2' ' HB2' ' A' ' 107' ' ' ARG . 81.0 m95 -89.7 95.59 10.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -89.52 122.43 32.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.792 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.64 112.33 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -81.82 -69.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.418 0.628 . . . . 0.0 110.1 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -162.18 177.03 10.03 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 57.6 mttm -81.86 158.93 23.85 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.485 -177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.98 -11.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.451 0.643 . . . . 0.0 110.834 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -77.73 -21.83 51.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.343 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.69 -49.66 10.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.049 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.0 mt -86.96 101.49 11.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.614 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 86.5 mt -76.67 167.7 34.44 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.904 -177.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.614 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 17.0 Cg_endo -57.23 143.37 93.69 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.719 2.28 . . . . 0.0 111.892 174.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 61.77 35.09 16.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.786 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 m -126.47 136.58 52.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.45 139.42 14.12 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.15 148.74 33.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.897 0.379 . . . . 0.0 110.95 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 p -97.62 113.39 25.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.155 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.37 179.93 3.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.264 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.55 125.16 33.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.696 0.284 . . . . 0.0 110.816 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 tp -117.15 115.31 25.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.81 -102.56 0.99 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -171.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -129.54 -0.14 4.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.844 0.354 . . . . 0.0 110.424 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.15 148.26 22.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.256 0.55 . . . . 0.0 110.88 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -87.11 118.98 26.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.338 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -112.14 133.77 56.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.24 118.51 36.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.127 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.499 HD11 HD11 ' A' ' 106' ' ' LEU . 56.3 mt -101.79 122.57 54.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.924 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.11 125.0 49.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.877 0.37 . . . . 0.0 110.995 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -108.71 100.23 37.93 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.512 ' HB3' HG22 ' A' ' 59' ' ' ILE . 74.2 Cg_endo -80.19 -43.23 0.13 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.953 2.435 . . . . 0.0 113.16 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' A' ' 66' ' ' LEU . 69.2 m-85 -90.01 171.19 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.233 0.539 . . . . 0.0 110.922 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.53 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 8.4 t-80 -86.91 -3.54 59.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.53 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.664 ' HB2' ' OE1' ' A' ' 38' ' ' GLN . 1.5 m -97.72 -150.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.922 -176.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -90.55 6.38 43.85 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.664 ' OE1' ' HB2' ' A' ' 36' ' ' SER . 27.1 mp0 -79.87 109.67 14.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 111.378 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 m -126.57 143.7 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.911 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -126.96 148.67 50.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.399 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.65 129.04 38.32 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.034 0.445 . . . . 0.0 111.368 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.5 pt -135.7 169.54 20.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.266 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.3 m -60.41 129.38 41.37 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 64.1 t30 -74.53 -15.17 60.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.485 -175.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 51' ' ' SER . 50.7 mt -121.64 128.33 75.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.787 178.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -83.81 148.52 54.54 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.735 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -84.04 -24.91 2.47 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.94 2.426 . . . . 0.0 114.313 -172.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -91.61 -45.21 8.6 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -170.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 51.8 t80 -107.2 -8.03 16.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.923 0.392 . . . . 0.0 110.153 -176.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 10.1 pt-20 48.87 80.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.653 1.181 . . . . 0.0 113.322 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 3.4 m -102.05 114.16 28.04 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 169.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.4 m -59.48 -39.36 83.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -171.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 m -128.51 124.17 61.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.182 0.515 . . . . 0.0 111.613 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 79.8 mt -92.44 -15.03 27.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.304 170.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 m -68.42 -13.69 62.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.43 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -92.14 40.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.505 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.85 164.6 24.71 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.904 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.84 143.3 26.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.808 0.337 . . . . 0.0 110.795 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.512 HG22 ' HB3' ' A' ' 33' ' ' PRO . 62.4 mt -102.81 129.6 54.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.826 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.28 143.07 30.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.053 0.454 . . . . 0.0 111.574 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.97 105.25 17.68 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -78.98 -55.53 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.231 -173.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -168.75 85.13 0.16 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.196 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.24 -6.89 58.79 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.69 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -139.76 144.6 37.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 110.705 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.502 HD13 ' CE2' ' A' ' 34' ' ' TYR . 69.6 mt -88.12 120.29 29.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.681 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -117.26 136.09 53.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.789 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.6 p -109.53 139.37 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.94 116.51 17.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.865 0.364 . . . . 0.0 111.717 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.472 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 14.7 m -77.95 119.91 79.22 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.506 174.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.505 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 24.3 Cg_exo -64.34 -8.76 17.67 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.605 2.87 . . . . 0.0 114.006 -172.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.546 ' H ' HD21 ' A' ' 72' ' ' LEU . 3.0 mm? -52.53 -70.78 0.08 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.121 0.486 . . . . 0.0 110.538 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 70.5 mmtt -118.97 9.43 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.023 175.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.625 ' HZ1' ' HB2' ' A' ' 74' ' ' LYS . 4.4 ttmp? 59.57 66.58 0.99 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.552 -176.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -89.24 121.63 31.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.909 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.407 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 1.4 mpt_? -95.86 122.29 38.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.209 -174.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.36 120.71 37.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.697 0.284 . . . . 0.0 110.693 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.556 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 57.0 ttp180 -75.77 107.49 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.48 -31.32 65.87 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.85 -174.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -45.32 -50.3 12.13 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.046 0.841 . . . . 0.0 111.922 -176.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.482 ' HA ' ' CD2' ' A' ' 94' ' ' HIS . 31.5 t70 -144.29 20.35 1.73 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.276 0.56 . . . . 0.0 111.419 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.99 41.75 80.59 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.636 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 78' ' ' ARG . 9.0 tp -94.16 104.78 16.79 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.469 -178.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.8 t -70.46 133.3 46.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 172.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 ttt -65.07 -34.97 79.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.939 0.4 . . . . 0.0 110.904 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -88.86 -49.77 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.586 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -83.77 10.49 9.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.324 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.502 ' HG3' HD12 ' A' ' 83' ' ' LEU . 41.8 tt0 -36.18 -35.16 0.07 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.399 1.48 . . . . 0.0 113.702 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.781 HE21 ' HA ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -45.94 -42.77 13.3 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 123.473 0.483 . . . . 0.0 111.86 -178.044 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -128.95 -23.52 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.111 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.8 m 67.82 -168.7 0.19 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.337 0.398 . . . . 0.0 111.38 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 m -114.57 -168.87 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.333 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -80.49 130.92 35.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.482 ' CD2' ' HA ' ' A' ' 81' ' ' ASP . 41.9 t-80 -103.69 114.77 29.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.769 174.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -97.02 145.98 25.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.967 0.413 . . . . 0.0 110.507 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -86.92 114.88 23.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.561 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -112.86 146.4 38.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -150.53 169.15 22.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.808 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.91 94.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.339 0.59 . . . . 0.0 109.957 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -83.36 97.36 8.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.231 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.4 t70 58.29 16.74 4.2 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.454 0.645 . . . . 0.0 111.253 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.16 3.06 27.98 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.554 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 58.3 t -109.8 128.14 66.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.553 0.216 . . . . 0.0 110.643 178.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.11 121.56 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -116.53 153.88 31.41 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.862 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.499 HD11 HD11 ' A' ' 30' ' ' ILE . 74.3 mt -122.95 127.91 49.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.895 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.415 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . 10.4 ttp180 -110.56 115.19 29.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.082 0.468 . . . . 0.0 109.919 171.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.917 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 174.893 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.98 0.419 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 94.3 m95 -71.77 87.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 171.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 44.5 tptt -73.14 113.16 9.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.453 -175.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.05 115.24 13.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.052 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.404 ' HB ' ' H ' ' A' ' 8' ' ' CYS . 29.0 mm -91.09 -81.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.874 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' H ' ' HB ' ' A' ' 7' ' ' ILE . 74.5 m -140.19 170.58 15.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.153 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 57.1 mtpt -79.07 144.85 34.2 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 99' ' ' VAL . 18.1 tt -68.62 -7.53 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.632 0.729 . . . . 0.0 110.279 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.88 -19.53 60.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.019 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -86.54 -42.78 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mt -79.87 104.91 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.039 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.18 156.6 91.62 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.617 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.57 142.85 95.67 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.493 2.128 . . . . 0.0 111.84 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 67.32 30.7 6.91 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.913 0.758 . . . . 0.0 110.785 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 m -127.34 136.33 51.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.525 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.76 136.01 10.42 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -126.0 158.26 35.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.856 0.36 . . . . 0.0 111.24 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -103.93 108.5 19.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.375 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.03 151.26 20.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.542 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -100.83 100.29 10.92 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -97.93 85.22 3.47 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.1 -116.88 4.91 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -168.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -107.47 0.75 23.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.311 0.577 . . . . 0.0 109.85 172.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -85.25 112.86 21.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.044 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -78.92 109.73 13.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.181 0.515 . . . . 0.0 109.767 175.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.474 HG11 HD12 ' A' ' 106' ' ' LEU . 31.4 t -101.91 129.38 53.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.21 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.498 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -90.62 106.89 18.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.346 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.491 HD11 HD11 ' A' ' 106' ' ' LEU . 52.1 mt -92.97 113.16 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.567 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.592 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 96.1 m-85 -107.54 122.83 47.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.79 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -106.47 100.12 28.34 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 167.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HB2' HD12 ' A' ' 66' ' ' LEU . 73.6 Cg_endo -92.51 -25.01 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.763 2.309 . . . . 0.0 113.179 -177.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -98.64 166.18 11.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.171 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -83.21 -9.74 58.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.434 0.635 . . . . 0.0 109.369 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 m -79.65 -167.28 1.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.904 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -96.18 31.29 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.547 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -105.02 116.01 31.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.641 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.7 m -127.76 153.85 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.299 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -131.55 151.01 51.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.358 -0.383 . . . . 0.0 109.982 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -133.49 128.34 35.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.133 0.492 . . . . 0.0 111.541 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.9 pt -134.2 -176.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.134 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 54' ' ' LEU . 14.4 m -65.27 122.1 16.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 175.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.498 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 9.1 t30 -75.32 -31.74 60.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.795 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.625 HG12 ' O ' ' A' ' 52' ' ' SER . 22.2 mt -109.1 127.77 65.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.398 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.488 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -78.11 122.6 85.56 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.146 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 5.8 Cg_endo -87.17 -7.16 7.09 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.094 2.529 . . . . 0.0 113.497 -174.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -90.39 -56.4 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.079 0.466 . . . . 0.0 110.18 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.597 ' HZ ' ' HE2' ' A' ' 73' ' ' LYS . 49.0 t80 -95.32 -10.58 29.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.675 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 42.0 mt-10 65.43 64.4 0.6 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.361 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.6 m -102.45 117.42 34.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.84 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.625 ' O ' HG12 ' A' ' 45' ' ' ILE . 21.1 m -65.5 -42.19 92.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -167.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.68 HG21 ' HD3' ' A' ' 56' ' ' ARG . 6.6 m -128.72 124.01 60.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 43' ' ' SER . 74.9 mt -92.63 -24.28 18.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.084 167.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.592 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 3.4 p -63.77 -28.04 69.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.143 -175.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.68 ' HD3' HG21 ' A' ' 53' ' ' VAL . 69.2 mtp180 -86.99 41.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.843 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.55 164.64 24.61 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.146 -175.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.401 HD21 ' N ' ' A' ' 58' ' ' LEU . 2.8 mm? -81.71 142.76 32.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.79 0.328 . . . . 0.0 111.174 -172.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.25 105.3 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.627 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.99 149.67 32.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.297 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.0 141.73 43.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.729 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 67' ' ' TRP . 51.8 t-80 -129.36 78.2 1.84 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.618 172.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 59.76 18.68 7.49 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.649 174.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.75 -42.9 1.03 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.253 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.58 158.6 18.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 33' ' ' PRO . 88.8 mt -106.51 117.81 35.02 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.153 0.502 . . . . 0.0 110.158 175.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.428 ' CZ2' ' HD3' ' A' ' 78' ' ' ARG . 37.4 m95 -111.1 133.45 53.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.417 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -96.79 127.97 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.108 0.48 . . . . 0.0 110.204 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -111.97 116.89 31.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.486 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 p -80.5 123.18 82.97 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.52 0.06 8.07 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.79 2.326 . . . . 0.0 112.409 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.6 -61.44 2.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.597 ' HE2' ' HZ ' ' A' ' 49' ' ' PHE . 17.7 tptt -131.85 12.52 4.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.016 0.436 . . . . 0.0 109.976 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 62.19 67.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.048 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -110.31 147.49 33.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -124.69 117.91 25.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.152 0.501 . . . . 0.0 111.132 -172.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -119.22 142.08 48.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.441 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HD3' ' CZ2' ' A' ' 67' ' ' TRP . 53.0 ttp180 -89.59 95.09 10.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 80' ' ' SER . 2.2 pp -62.61 -17.7 60.77 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.436 ' N ' HD12 ' A' ' 79' ' ' LEU . 45.9 t -62.94 -55.49 25.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.606 0.241 . . . . 0.0 111.022 -178.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -110.05 -12.88 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.571 0.224 . . . . 0.0 111.481 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.47 14.24 51.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.781 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.488 HD13 ' HG3' ' A' ' 88' ' ' GLU . 13.7 tp -77.45 145.29 37.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.769 0.318 . . . . 0.0 110.693 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.519 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 23.2 t -100.16 145.35 28.12 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 171.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.3 ttt -60.92 -62.62 1.73 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -173.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -12.74 30.61 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 11.9 t70 -98.26 10.74 39.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 109.759 176.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.488 ' HG3' HD13 ' A' ' 83' ' ' LEU . 35.1 tt0 -34.29 -38.17 0.06 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.758 1.223 . . . . 0.0 113.972 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.3 pm0 -59.47 -23.12 62.47 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -132.1 -65.41 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.222 -0.299 . . . . 0.0 110.943 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.3 m 69.35 179.88 0.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 112.288 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 m -91.24 -179.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.588 -174.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -90.05 124.79 35.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.853 -175.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -90.01 136.65 32.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.34 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -109.52 135.7 50.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 37.6 mm-40 -77.49 120.4 22.42 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.277 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.74 146.26 42.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.975 0.417 . . . . 0.0 111.524 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -150.23 156.49 41.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.594 173.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.421 HG21 HD13 ' A' ' 10' ' ' ILE . 63.5 t -104.3 99.85 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.125 0.488 . . . . 0.0 110.247 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -94.03 105.18 17.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.488 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.8 t70 63.14 11.01 4.94 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.547 0.689 . . . . 0.0 110.869 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.34 -4.27 26.66 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.354 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 59.6 t -102.12 130.92 51.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.886 0.343 . . . . 0.0 110.642 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 t -76.7 118.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 73.8 mt-30 -114.07 133.89 55.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.795 0.331 . . . . 0.0 110.735 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.491 HD11 HD11 ' A' ' 30' ' ' ILE . 45.4 mt -117.42 119.97 36.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.684 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.519 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 23.5 ttp180 -91.6 117.2 29.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.131 0.491 . . . . 0.0 110.102 173.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.838 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.352 178.561 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -84.7 102.36 12.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.018 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -79.71 125.82 30.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.915 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.09 138.49 49.79 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.433 HG13 HD13 ' A' ' 30' ' ' ILE . 50.1 mm -111.45 -72.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.424 0.631 . . . . 0.0 110.318 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.8 p -156.86 -165.05 1.76 Allowed 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -101.65 161.79 13.38 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.431 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.4 tp -65.9 -12.55 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.705 0.764 . . . . 0.0 110.031 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.46 -31.16 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.546 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.31 -37.42 77.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.498 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 mt -100.34 112.44 33.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.238 -173.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.439 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 80.2 mt -77.8 168.95 23.43 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.318 178.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.696 ' HG3' ' HB3' ' A' ' 35' ' ' HIS . 98.6 Cg_exo -50.66 133.77 39.14 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.766 2.311 . . . . 0.0 113.087 174.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.0 mp0 52.35 56.81 7.17 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.933 0.771 . . . . 0.0 111.053 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -136.34 147.15 47.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.779 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.77 137.37 10.82 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.938 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.1 m -118.76 167.06 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.665 0.269 . . . . 0.0 111.139 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -109.5 112.13 24.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.416 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.62 177.41 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.7 mt -123.66 132.61 53.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.952 0.406 . . . . 0.0 111.148 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -121.69 95.71 4.78 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.06 -120.72 10.83 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.434 -0.889 . . . . 0.0 110.943 -171.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -93.65 -22.43 18.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.022 0.439 . . . . 0.0 110.898 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.72 139.5 30.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.167 0.508 . . . . 0.0 111.343 -176.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -85.24 143.63 28.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.991 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.5 t -131.48 127.58 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.896 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.22 115.31 25.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.748 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.481 HD13 HD11 ' A' ' 106' ' ' LEU . 54.3 mt -97.93 116.42 40.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.62 131.63 54.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.697 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -103.19 99.96 16.14 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 171.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -85.36 -23.09 2.42 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.796 2.331 . . . . 0.0 112.5 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -117.71 130.4 56.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.696 ' HB3' ' HG3' ' A' ' 15' ' ' PRO . 2.5 p-80 -80.99 56.42 2.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.229 0.538 . . . . 0.0 111.056 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 p -135.18 -85.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.161 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.0 -35.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.685 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.82 114.74 4.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.111 -171.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.97 156.17 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.018 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -137.57 147.21 44.9 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.86 137.73 53.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.645 0.259 . . . . 0.0 111.326 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 93' ' ' LYS . 24.3 pt -144.36 -172.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.054 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 m -73.2 141.56 47.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.486 0.184 . . . . 0.0 111.149 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.509 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 6.1 m120 -78.1 -42.41 32.12 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.077 0.465 . . . . 0.0 110.477 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 51' ' ' SER . 25.9 mm -103.72 141.48 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.459 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -59.17 116.14 14.79 Favored Pre-proline 0 N--CA 1.466 0.36 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 170.344 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.85 -55.47 0.41 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.253 1.969 . . . . 0.0 112.078 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -91.64 -7.36 50.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.792 -174.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.609 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 85.6 t80 -114.19 -27.63 7.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -175.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 65.23 93.19 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.461 0.648 . . . . 0.0 111.189 -176.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 45' ' ' ILE . 98.1 p -126.55 -165.6 1.47 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 m -102.94 -168.68 1.55 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -68.39 124.61 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.491 0.662 . . . . 0.0 111.415 -175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.653 HD21 ' HG ' ' A' ' 70' ' ' SER . 40.1 mt -74.04 -10.6 59.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.34 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 m -61.31 -22.81 65.23 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.503 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -97.18 41.28 1.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.443 0.64 . . . . 0.0 110.333 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.68 164.56 24.66 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.526 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.441 HD21 ' N ' ' A' ' 58' ' ' LEU . 2.3 mm? -95.46 126.78 40.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.849 0.357 . . . . 0.0 111.271 -168.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 16' ' ' GLU . 68.5 mt -78.5 123.93 36.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -136.15 -171.86 2.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.725 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -122.74 129.21 51.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.31 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -101.18 -43.9 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.589 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' C ' ' H ' ' A' ' 65' ' ' GLU . 9.3 pt20 -152.48 60.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.155 0.503 . . . . 0.0 110.46 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.62 -28.83 2.69 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.013 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 63' ' ' GLN . 39.2 mt-10 -88.63 146.71 24.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.53 112.7 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.505 0.669 . . . . 0.0 110.854 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.55 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 24.9 m95 -111.13 152.17 27.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.068 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.9 p -96.47 125.82 49.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.177 0.513 . . . . 0.0 109.677 176.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -97.39 103.65 15.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.653 ' HG ' HD21 ' A' ' 54' ' ' LEU . 13.5 m -78.12 125.19 85.55 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.937 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.66 -27.06 81.87 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.694 2.262 . . . . 0.0 111.697 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.416 ' N ' HD11 ' A' ' 72' ' ' LEU . 6.7 mp -81.61 116.73 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.015 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HZ2' ' HB3' ' A' ' 75' ' ' GLN . 1.8 tmmt? 71.03 -6.81 1.22 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.246 0.619 . . . . 0.0 111.913 175.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm 64.98 28.66 12.5 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.044 0.45 . . . . 0.0 111.354 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.435 ' HB3' ' HZ2' ' A' ' 73' ' ' LYS . 3.2 pt20 -71.55 154.48 41.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.122 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -126.92 120.94 30.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.796 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.44 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 64.0 m-85 -118.05 130.97 56.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.253 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -91.14 97.24 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 79' ' ' LEU . 1.2 pp -65.28 -14.47 60.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.582 -173.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m -66.65 -46.88 74.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.534 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -117.54 -29.96 5.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.582 0.23 . . . . 0.0 111.117 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.0 -1.56 19.54 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.527 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.99 135.82 52.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 0.0 111.024 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 16.7 m -110.67 137.39 48.4 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 19.0 ttt -75.57 -62.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.77 0.319 . . . . 0.0 111.721 -172.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -84.87 -32.25 23.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.601 0.715 . . . . 0.0 109.82 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 1.0 OUTLIER -83.29 10.23 8.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.923 -178.462 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -42.65 -31.31 0.44 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.095 1.358 . . . . 0.0 113.408 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -53.71 -37.14 62.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.193 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -149.56 69.42 1.04 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 110.151 -176.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.68 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 59.9 m -52.0 157.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.444 174.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.7 m -90.3 167.74 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -169.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 52.6 mtpt -76.01 117.0 17.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.64 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -97.1 115.04 26.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.082 0.468 . . . . 0.0 110.296 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -99.64 152.63 19.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.522 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.67 131.5 37.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.724 0.297 . . . . 0.0 110.601 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.8 141.53 50.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.305 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -149.78 159.43 44.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.707 0.289 . . . . 0.0 110.42 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.62 111.41 32.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.658 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -110.87 113.54 26.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.275 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 62.8 17.96 10.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.126 0.488 . . . . 0.0 110.218 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.53 -1.19 58.43 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.418 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.9 t -108.59 128.21 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.614 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.83 127.6 37.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.409 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -119.48 153.52 35.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.469 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.481 HD11 HD13 ' A' ' 30' ' ' ILE . 88.8 mt -124.7 133.07 53.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.013 178.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -117.14 104.69 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 170.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.672 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.219 -178.138 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 C--O 1.234 0.265 0 CA-C-O 120.707 0.289 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -63.4 94.14 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.186 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -82.8 124.55 30.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.889 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -72.35 115.05 11.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.593 175.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.0 mm -88.94 -75.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.267 0.556 . . . . 0.0 110.714 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.7 m -150.06 -172.57 4.2 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -92.02 157.73 16.62 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.928 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.476 HD13 ' HD2' ' A' ' 32' ' ' ARG . 11.0 tp -69.74 -15.19 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.327 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -65.45 -25.17 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.511 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -87.78 -10.12 51.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.239 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -117.32 113.86 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 90.6 mt -86.11 162.0 47.79 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.641 0.257 . . . . 0.0 111.132 -175.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 19.5 Cg_endo -60.08 122.91 12.12 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 122.428 2.085 . . . . 0.0 111.974 175.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 59' ' ' ILE . 69.4 mt-10 76.94 31.72 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.309 1.044 . . . . 0.0 111.895 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.3 p -130.55 161.12 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.704 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.423 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -136.48 139.7 10.87 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.616 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -120.59 160.99 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 m -93.85 109.3 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.552 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.82 27.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.048 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.1 104.97 14.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.074 0.464 . . . . 0.0 111.015 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.3 tp -91.07 95.03 9.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 175.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.72 -95.42 0.9 Allowed Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -169.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.53 -4.97 4.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.333 0.587 . . . . 0.0 110.117 169.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -80.49 132.66 35.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.016 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.36 115.88 25.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.687 0.756 . . . . 0.0 111.487 -176.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.7 t -107.47 132.76 54.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.698 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.53 109.96 21.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.705 0.288 . . . . 0.0 110.342 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.489 HD11 HD11 ' A' ' 106' ' ' LEU . 61.3 mt -96.82 108.95 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.961 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.44 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 94.2 m-85 -102.79 123.9 47.31 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.476 ' HD2' HD13 ' A' ' 10' ' ' ILE . 77.0 ttt180 -101.54 99.94 12.77 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 169.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 87.0 Cg_endo -93.11 -19.08 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.726 2.284 . . . . 0.0 112.827 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -102.22 165.84 10.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.062 0.458 . . . . 0.0 110.769 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -79.66 -26.89 40.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 m -83.14 -162.43 0.61 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.305 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -80.99 13.41 2.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.095 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -85.57 103.77 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.034 0.445 . . . . 0.0 110.96 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.23 152.61 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.31 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.91 129.99 39.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.293 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB1' ' HB2' ' A' ' 95' ' ' TYR . . . -111.43 130.17 55.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.041 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 pt -137.74 -172.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.232 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.471 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 35.3 t -68.65 149.58 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.593 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 64.9 t30 -95.54 -11.58 27.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -176.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 51' ' ' SER . 48.5 mm -119.65 142.68 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 4.5 m-20 -73.09 152.76 90.67 Favored Pre-proline 0 N--CA 1.472 0.629 0 CA-C-O 120.661 0.267 . . . . 0.0 110.997 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 6.0 Cg_exo -79.09 -79.44 0.0 OUTLIER 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 123.298 2.665 . . . . 0.0 113.487 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 90' ' ' PHE . 18.9 m-85 -81.16 -38.36 27.27 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.034 0.445 . . . . 0.0 110.322 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CZ ' ' HE2' ' A' ' 73' ' ' LYS . 13.9 t80 -65.53 -31.88 73.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.282 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 43.25 75.18 0.1 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.323 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.9 t -119.78 -165.61 1.19 Allowed 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 173.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -88.28 -153.65 0.25 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.228 0.537 . . . . 0.0 111.292 -173.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.593 ' HA ' ' O ' ' A' ' 44' ' ' ASN . 19.1 m -68.04 134.27 30.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.273 -171.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.51 HD21 ' HG ' ' A' ' 70' ' ' SER . 30.4 mt -80.06 -11.7 59.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.216 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -59.29 -28.08 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.297 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -91.46 40.41 1.03 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.041 0.448 . . . . 0.0 110.09 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.48 164.74 24.59 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.747 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.674 ' H ' HD21 ' A' ' 58' ' ' LEU . 2.4 pt? -102.43 162.28 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.037 0.446 . . . . 0.0 110.783 -176.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 16' ' ' GLU . 72.9 mt -114.56 133.57 60.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.619 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.03 151.27 50.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.4 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -95.88 130.35 42.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.126 0.489 . . . . 0.0 111.694 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -77.47 -59.97 2.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.01 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 178.33 92.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.99 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.97 3.25 84.28 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -173.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -129.41 124.29 33.79 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 91.2 mt -95.59 113.09 24.71 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.253 0.549 . . . . 0.0 109.914 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -102.81 148.53 25.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.689 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 14.8 p -99.4 137.87 25.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.437 ' HB2' HH11 ' A' ' 76' ' ' ARG . . . -122.87 114.47 20.52 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.946 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.51 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.0 m -78.19 115.59 52.11 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.506 175.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.35 23.1 0.55 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.921 2.414 . . . . 0.0 112.369 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 70' ' ' SER . 66.2 mt -80.87 -59.56 2.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.778 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.521 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 30.8 mtmm -134.68 -76.65 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.537 171.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 13.5 ptmm? -174.4 97.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.178 0.513 . . . . 0.0 111.326 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.6 pm0 -150.26 145.97 26.52 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.437 HH11 ' HB2' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -133.36 122.34 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -171.171 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 65.7 m-85 -113.41 128.93 56.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.994 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -80.57 101.44 9.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.84 -23.27 42.86 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -173.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.3 t -61.26 -17.28 52.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.381 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 33.0 t70 -143.84 -38.33 0.31 Allowed 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 120.63 0.252 . . . . 0.0 111.441 177.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.63 -1.37 24.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.2 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 tt -76.54 138.52 40.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.09 0.471 . . . . 0.0 110.949 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 88' ' ' GLU . 53.8 t -98.93 154.75 17.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.34 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 52.9 ttm -81.9 -41.27 21.16 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.026 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -92.53 -26.93 17.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.981 0.419 . . . . 0.0 111.029 -176.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 9.6 m-20 -96.21 10.7 36.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.656 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 36.3 tt0 -34.03 -63.67 0.26 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -167.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.24 -27.33 68.37 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -171.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.495 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 61.5 t80 -133.74 67.08 1.53 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.525 0.679 . . . . 0.0 109.254 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.89 -168.57 1.83 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.192 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 43' ' ' SER . 32.9 m -92.31 163.42 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.142 0.496 . . . . 0.0 111.963 -172.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.57 122.28 23.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.516 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 9.8 t-160 -85.88 119.43 26.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.603 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.426 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 80.4 m-85 -92.79 141.57 28.3 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 1.8 mp0 -79.79 107.65 12.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.913 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.45 152.68 32.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.447 -175.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -150.32 153.08 35.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.411 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.9 t -97.76 102.32 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.303 0.573 . . . . 0.0 109.776 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -92.52 96.33 10.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.269 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 60.65 19.38 9.36 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.257 0.348 . . . . 0.0 111.427 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.51 -9.26 28.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.513 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.65 129.51 52.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.536 0.208 . . . . 0.0 110.466 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.47 120.62 33.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -112.76 140.06 47.86 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.284 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.489 HD11 HD11 ' A' ' 30' ' ' ILE . 65.2 mt -115.18 130.58 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.878 0.371 . . . . 0.0 111.183 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.447 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 10.8 ttp180 -111.42 117.67 33.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 171.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.813 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.134 179.631 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 5.9 tp60 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.478 0.656 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CE2' ' HD3' ' A' ' 107' ' ' ARG . 96.2 m95 -91.7 90.49 7.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.925 172.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -95.19 131.3 41.39 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.832 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.428 ' HA ' ' HG2' ' A' ' 105' ' ' GLN . 7.0 p-10 -72.07 138.12 47.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.878 175.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.432 HG21 ' HB3' ' A' ' 21' ' ' ALA . 30.5 mm -102.24 -67.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.615 0.721 . . . . 0.0 109.445 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.0 p -155.43 174.74 14.82 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.47 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.656 ' HZ3' ' HB2' ' A' ' 9' ' ' LYS . 9.8 mtmp? -73.74 154.23 39.69 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 99' ' ' VAL . 19.3 tt -72.33 -11.88 15.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.918 0.865 . . . . 0.0 109.145 175.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.41 -28.39 67.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.565 174.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.459 ' OD1' ' HB2' ' A' ' 9' ' ' LYS . 4.6 m-20 -77.3 -29.77 53.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.884 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mt -105.37 103.81 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.386 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.35 156.57 91.68 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.442 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 18.2 Cg_endo -60.36 146.58 96.35 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.329 2.019 . . . . 0.0 111.706 175.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' PRO . 25.5 mm-40 67.29 29.84 7.38 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.656 0.597 . . . . 0.0 110.628 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -130.59 144.21 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.83 133.01 7.44 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -128.7 171.44 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.783 0.325 . . . . 0.0 111.153 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -97.93 130.22 44.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.723 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB3' HG21 ' A' ' 7' ' ' ILE . . . -127.62 167.94 15.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.35 120.38 26.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.315 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 106' ' ' LEU . 52.3 tp -96.69 85.84 3.94 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.16 -88.01 1.09 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -129.5 -4.65 4.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.384 0.611 . . . . 0.0 110.115 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -82.02 141.04 33.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.643 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -88.07 122.72 31.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.932 0.396 . . . . 0.0 110.539 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG12 HD12 ' A' ' 106' ' ' LEU . 44.2 t -129.37 139.38 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.412 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.79 116.9 33.74 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.505 HD13 HD11 ' A' ' 106' ' ' LEU . 58.1 mt -103.28 122.83 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.05 0.452 . . . . 0.0 110.553 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 81.0 m-85 -115.87 129.45 56.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.16 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -111.7 99.9 46.46 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.502 ' HB3' HG21 ' A' ' 59' ' ' ILE . 1.2 Cg_endo -83.14 -37.78 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.047 2.498 . . . . 0.0 112.335 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -90.34 160.29 16.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.224 0.535 . . . . 0.0 111.107 -175.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -76.45 -15.99 59.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.826 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 p -87.2 -163.24 0.89 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.203 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HB2' ' HB ' ' A' ' 99' ' ' VAL . 7.7 p-10 -85.57 11.46 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.474 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -83.55 97.68 9.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.078 0.466 . . . . 0.0 110.965 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -115.37 155.31 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.298 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -127.5 141.53 51.63 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.65 130.22 37.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.893 0.378 . . . . 0.0 111.387 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.6 pt -138.65 172.35 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.94 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.633 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 20.0 p -64.83 136.48 56.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -84.06 -6.72 59.46 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -171.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 51' ' ' SER . 67.6 mt -109.84 123.11 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.593 0.235 . . . . 0.0 111.084 -176.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.748 ' HB2' ' H ' ' A' ' 50' ' ' GLU . 1.3 m-20 -61.83 132.93 93.55 Favored Pre-proline 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 177.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HD3' HG11 ' A' ' 92' ' ' VAL . 2.8 Cg_endo -82.26 -13.66 9.89 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.282 1.988 . . . . 0.0 110.324 168.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.835 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 87.4 t80 -89.24 -55.32 3.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.289 -177.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -111.08 -22.11 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.085 -175.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.748 ' H ' ' HB2' ' A' ' 46' ' ' ASP . 39.1 mt-10 69.06 73.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.155 0.582 . . . . 0.0 112.211 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 48.4 t -109.09 161.68 14.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 171.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 p -87.3 -30.72 20.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 0.0 111.698 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.4 m -128.64 124.54 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.478 0.656 . . . . 0.0 111.829 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.8 mt -92.31 -7.62 47.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.932 170.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.447 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 6.0 m -74.83 0.84 14.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.482 -174.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -104.23 40.55 1.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.613 0.72 . . . . 0.0 109.725 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.88 164.58 24.72 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.958 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -96.41 139.59 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.737 0.303 . . . . 0.0 110.36 -177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 33' ' ' PRO . 61.2 mt -92.38 120.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.084 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.47 164.97 25.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.484 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -101.12 127.82 47.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.957 0.408 . . . . 0.0 111.106 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 11.6 t-160 -76.61 -49.95 15.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.386 175.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 7.9 tp-100 174.57 78.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.226 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.5 -31.24 4.59 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.46 -171.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -88.63 145.07 25.89 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 122.411 0.285 . . . . 0.0 110.63 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.97 119.23 38.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.179 0.514 . . . . 0.0 110.335 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.6 ' HZ3' ' HB2' ' A' ' 85' ' ' MET . 31.6 m95 -116.8 140.41 49.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.007 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.67 124.64 49.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.04 107.49 15.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.409 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.509 ' HB3' HD12 ' A' ' 72' ' ' LEU . 38.5 m -84.3 119.58 73.35 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.56 3.21 3.3 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.728 2.286 . . . . 0.0 112.46 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.509 HD12 ' HB3' ' A' ' 70' ' ' SER . 7.4 mp -64.59 -72.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.863 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 26.8 mmtp -129.94 25.98 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 111.262 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.0 tptm 71.64 25.43 3.3 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.014 168.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.408 ' HG2' ' HB2' ' A' ' 70' ' ' SER . 1.4 pm0 -74.54 139.42 43.77 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.764 0.316 . . . . 0.0 110.356 177.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -127.03 132.37 50.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.744 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -129.66 135.08 48.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.71 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -84.1 112.9 20.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.42 -26.3 68.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -170.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.7 m -68.74 -49.45 58.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -114.22 -17.39 11.87 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.05 14.52 51.56 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.409 HD12 ' OG ' ' A' ' 91' ' ' SER . 30.1 tp -72.16 134.83 45.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.828 0.347 . . . . 0.0 110.774 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.7 t -99.86 136.36 39.89 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 173.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.6 ' HB2' ' HZ3' ' A' ' 67' ' ' TRP . 16.5 ttt -67.74 -34.99 77.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.121 0.486 . . . . 0.0 110.352 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -87.89 -47.67 8.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.564 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.835 ' HB2' ' HB2' ' A' ' 48' ' ' PHE . 24.1 t70 -89.58 10.95 21.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.798 -174.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -37.62 -26.18 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -49.34 -38.59 28.52 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 122.825 0.45 . . . . 0.0 112.14 172.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -134.27 -52.75 0.83 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.137 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.409 ' OG ' HD12 ' A' ' 83' ' ' LEU . 48.7 m 72.04 -179.45 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.379 0.671 . . . . 0.0 111.893 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.633 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 31.6 m -92.12 -178.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.166 0.508 . . . . 0.0 111.854 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -97.99 119.84 37.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.866 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -90.95 134.81 34.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.74 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.413 ' CD2' ' HA3' ' A' ' 108' ' ' GLY . 76.8 m-85 -107.32 145.45 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.872 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -82.72 119.21 24.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.38 136.41 52.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.561 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -135.83 144.99 45.98 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.444 HG21 HD11 ' A' ' 10' ' ' ILE . 59.3 t -98.16 102.26 13.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -97.44 108.95 21.78 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.403 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.5 t70 62.74 25.22 14.99 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.535 0.683 . . . . 0.0 110.619 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.83 2.89 64.5 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.82 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.479 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 62.4 t -113.18 128.63 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.866 0.333 . . . . 0.0 110.37 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 t -75.09 119.92 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.428 ' HG2' ' HA ' ' A' ' 6' ' ' ASP . 89.7 mt-30 -117.89 143.09 46.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.536 176.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.656 ' HB2' HD11 ' A' ' 23' ' ' LEU . 69.5 mt -120.04 139.12 53.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' HD3' ' CE2' ' A' ' 4' ' ' TRP . 8.4 ttp180 -115.69 115.64 26.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 172.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.413 ' HA3' ' CD2' ' A' ' 95' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.636 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.135 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.518 0.675 . . . . 0.0 109.715 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 97.7 m95 -80.57 92.73 5.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.986 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.721 ' HA ' ' HZ2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -76.74 116.8 17.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.399 -177.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.41 112.39 2.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.642 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 21' ' ' ALA . 40.5 mm -87.36 -70.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.192 0.52 . . . . 0.0 110.118 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 p -157.14 177.87 10.99 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HG2' HG21 ' A' ' 103' ' ' VAL . 47.0 mtpt -87.9 161.03 17.7 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.079 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.97 -10.58 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 121.461 0.648 . . . . 0.0 110.71 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.42 -21.85 60.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.104 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -85.3 -44.97 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.915 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.679 HD13 HG23 ' A' ' 104' ' ' VAL . 41.5 mt -94.79 101.32 12.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.725 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.815 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -85.65 171.92 9.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.727 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.536 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 55.9 Cg_exo -53.17 138.46 63.37 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.653 2.235 . . . . 0.0 112.468 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.512 ' HA ' HD13 ' A' ' 59' ' ' ILE . 73.9 mt-10 51.24 62.17 2.85 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.967 -175.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.651 ' OG1' ' HG ' ' A' ' 14' ' ' LEU . 24.2 m -144.86 136.13 25.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.12 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -125.02 132.85 8.25 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.782 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 m -117.91 169.7 8.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.837 0.351 . . . . 0.0 110.758 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -104.34 128.95 52.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.659 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB3' HD11 ' A' ' 7' ' ' ILE . . . -127.53 143.76 51.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.718 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.59 108.14 19.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.6 tp -93.86 91.88 7.15 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.92 -90.09 0.49 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 -174.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -129.59 0.67 4.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.237 0.541 . . . . 0.0 109.938 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -95.59 128.13 42.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.958 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -77.89 123.3 26.6 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.429 HG12 HD11 ' A' ' 106' ' ' LEU . 44.1 t -123.13 138.17 54.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.037 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.413 ' HB1' ' OD1' ' A' ' 44' ' ' ASN . . . -101.2 118.79 37.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.444 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.405 ' CD1' HG13 ' A' ' 7' ' ' ILE . 61.2 mt -103.01 114.46 42.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.016 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.445 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 96.4 m-85 -112.13 130.59 55.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.472 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.534 ' HB2' HG12 ' A' ' 39' ' ' VAL . 79.5 ttt180 -101.93 99.98 13.6 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 170.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.521 ' HB2' HD13 ' A' ' 66' ' ' LEU . 63.0 Cg_endo -95.06 -3.5 2.3 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.978 2.452 . . . . 0.0 112.853 -178.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -107.17 154.36 21.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.54 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -73.81 -22.57 59.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 p -85.09 -163.83 0.9 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.708 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -85.31 14.68 5.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.502 0.321 . . . . 0.0 111.464 -174.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -83.82 110.71 18.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.108 0.48 . . . . 0.0 111.179 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 32' ' ' ARG . 31.5 m -119.48 152.99 22.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.411 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -132.25 145.04 51.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.741 0.305 . . . . 0.0 110.322 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.27 136.13 55.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.951 0.405 . . . . 0.0 111.028 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.4 pt -134.88 162.64 38.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.524 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.518 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 18.8 t -57.89 134.15 56.07 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.413 ' OD1' ' HB1' ' A' ' 29' ' ' ALA . 59.0 t30 -93.59 11.59 28.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.564 -173.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 52' ' ' SER . 39.6 mm -127.68 136.69 59.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.228 176.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.527 ' OD2' ' HB3' ' A' ' 51' ' ' SER . 3.8 m-20 -74.85 129.18 83.9 Favored Pre-proline 0 N--CA 1.468 0.47 0 CA-C-N 117.795 0.271 . . . . 0.0 110.566 175.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.72 -54.55 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.521 2.147 . . . . 0.0 113.762 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -88.41 -41.51 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.004 0.431 . . . . 0.0 110.289 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -71.93 -26.77 62.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.303 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 61.5 79.54 0.25 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.824 0.821 . . . . 0.0 110.585 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.527 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 41.0 t -137.38 163.05 31.96 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.846 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 40.6 m -93.1 -140.48 0.21 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.638 0.256 . . . . 0.0 111.284 -175.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.3 m -67.71 129.31 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.986 0.898 . . . . 0.0 113.299 -167.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.2 mt -92.46 -7.46 47.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.475 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m -65.6 0.96 1.38 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -172.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.583 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 3.5 tpm_? -110.9 40.72 1.96 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.1 0.476 . . . . 0.0 110.373 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.32 164.82 24.53 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.034 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.669 ' H ' HD21 ' A' ' 58' ' ' LEU . 1.6 pt? -91.37 162.68 14.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.971 -175.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 16' ' ' GLU . 69.1 mt -109.69 126.76 66.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.02 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.87 119.02 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.051 0.453 . . . . 0.0 111.234 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.63 125.42 30.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.793 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -79.24 -84.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.623 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -114.28 -16.37 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.463 0.649 . . . . 0.0 109.955 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.52 -25.94 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.584 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.54 145.49 25.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.174 0.511 . . . . 0.0 109.948 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 33' ' ' PRO . 28.1 mt -100.08 116.1 31.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.701 -174.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -112.93 140.18 47.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.449 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.3 p -100.82 133.69 43.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 172.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -110.75 115.61 29.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.263 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.714 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . 20.2 m -89.83 120.57 69.4 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.89 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.6 -4.23 8.0 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.223 2.615 . . . . 0.0 112.724 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.74 -51.37 69.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.854 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 73' ' ' LYS . 23.3 mmmt -141.47 20.69 2.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 -176.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 62.12 36.27 15.28 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -171.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.714 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 63.7 tt0 -73.96 144.27 45.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.415 -1.721 . . . . 0.0 110.881 -170.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -128.68 121.65 29.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.986 0.422 . . . . 0.0 111.906 -172.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.485 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 96.6 m-85 -119.0 132.33 56.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.862 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.462 ' HE ' ' HB3' ' A' ' 81' ' ' ASP . 52.8 ttp180 -85.88 90.16 7.99 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.31 -15.6 60.58 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -170.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.9 m -70.2 -19.01 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.828 0.347 . . . . 0.0 110.779 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.462 ' HB3' ' HE ' ' A' ' 78' ' ' ARG . 8.0 t70 -130.7 -46.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.779 -173.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.79 -13.63 9.87 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.657 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.6 tp -57.45 134.57 56.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.046 0.45 . . . . 0.0 111.484 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.5 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 43.6 t -106.72 146.52 30.71 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 171.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.0 ttt -77.73 -39.25 45.06 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.192 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.493 ' OE1' ' HA ' ' A' ' 75' ' ' GLN . 2.1 pm0 -91.47 -39.71 11.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.63 0.252 . . . . 0.0 111.507 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 11.3 t70 -82.42 10.51 7.0 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.386 0.612 . . . . 0.0 109.595 177.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -34.89 -32.57 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.053 1.341 . . . . 0.0 114.143 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -57.84 -39.24 77.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.616 0.246 . . . . 0.0 111.64 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -118.81 -54.75 2.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.156 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.5 m 71.9 167.3 0.31 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.796 0.685 . . . . 0.0 110.909 -175.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' A' ' 43' ' ' SER . 27.7 m -90.63 145.96 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.404 0.621 . . . . 0.0 111.606 -173.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -64.48 122.66 17.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.23 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -84.8 142.55 29.7 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.448 ' HD1' ' CA ' ' A' ' 108' ' ' GLY . 90.7 m-85 -121.3 163.11 19.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.728 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -99.08 117.55 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.53 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.26 147.06 46.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.829 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -149.2 163.95 36.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.491 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.74 111.03 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -116.39 116.78 28.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.657 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.0 t70 65.19 13.54 8.81 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.868 0.842 . . . . 0.0 110.055 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.84 10.04 58.0 Favored Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.886 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.492 HG21 ' HG2' ' A' ' 9' ' ' LYS . 92.1 t -111.77 129.99 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.679 HG23 HD13 ' A' ' 13' ' ' ILE . 24.7 t -76.39 114.41 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.5 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 70.1 mt-30 -108.51 144.06 36.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.429 HD11 HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -121.97 119.49 31.63 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.548 -177.169 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.423 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . 38.0 ttp85 -111.5 119.77 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.448 ' CA ' ' HD1' ' A' ' 95' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.923 0 C-N-CA 120.083 -1.056 . . . . 0.0 112.613 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.953 0.406 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -86.61 98.25 10.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -76.3 129.36 36.54 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.223 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.77 98.46 5.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.438 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 mm -78.77 -81.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.928 0.394 . . . . 0.0 111.088 -174.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.9 p -152.41 169.11 23.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.53 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 48.5 mtmt -76.46 147.61 37.78 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.541 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.416 HD13 ' HD2' ' A' ' 32' ' ' ARG . 10.9 tp -63.07 -18.14 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.521 0.677 . . . . 0.0 110.06 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.75 -29.59 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.837 177.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.36 -52.79 9.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 111.408 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -75.41 110.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.048 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.9 mt -73.9 157.76 86.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.789 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HB3' ' HA ' ' A' ' 35' ' ' HIS . 13.6 Cg_endo -56.18 136.15 73.69 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.794 2.329 . . . . 0.0 111.664 175.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 63.74 44.49 4.98 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.739 0.649 . . . . 0.0 111.361 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 m -135.98 133.63 37.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.63 134.6 11.22 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 173.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.2 164.1 28.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 111.876 -173.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.0 m -93.52 123.06 36.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.468 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.48 144.58 51.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.046 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.0 mt -102.98 113.65 27.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.006 0.432 . . . . 0.0 110.807 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 tp -94.31 83.21 4.17 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.29 -96.45 0.63 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.506 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.79 -5.71 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -100.35 139.23 36.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.599 -174.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -89.49 110.7 21.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.688 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.3 t -109.56 136.32 45.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.963 0.411 . . . . 0.0 110.75 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.33 108.21 19.5 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.777 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.496 HD12 HD11 ' A' ' 106' ' ' LEU . 60.5 mt -87.62 108.79 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.743 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -102.8 123.39 46.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.777 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HD2' HD13 ' A' ' 10' ' ' ILE . 78.0 ttt180 -104.69 100.27 22.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 74.8 Cg_endo -84.74 -38.33 0.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.619 2.213 . . . . 0.0 113.135 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -93.87 165.6 12.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.514 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 41.4 t-80 -79.84 -21.15 44.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.994 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.9 m -84.67 -171.55 3.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.815 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.516 ' HB2' HG23 ' A' ' 99' ' ' VAL . 4.3 p-10 -78.96 68.37 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.847 0.832 . . . . 0.0 111.228 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.455 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 28.8 mm-40 -126.8 107.89 10.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.845 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.8 m -122.25 139.56 48.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.32 132.42 48.63 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.5 128.07 51.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.223 0.535 . . . . 0.0 111.839 -173.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 pt -128.28 176.85 6.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.644 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.1 t -64.23 126.45 27.79 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -73.18 -27.04 61.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.405 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.3 mm -109.58 129.74 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.609 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.3 OUTLIER -89.56 118.32 68.94 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.23 176.643 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -94.5 -0.9 2.83 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.001 2.467 . . . . 0.0 113.741 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -91.48 -57.54 2.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.135 0.493 . . . . 0.0 109.761 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.4 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 68.0 t80 -91.95 -5.66 52.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 61.83 74.92 0.43 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.766 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.609 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 10.0 m -117.23 153.02 33.61 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.706 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.452 ' HB2' ' H ' ' A' ' 53' ' ' VAL . 2.8 p -79.0 -145.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.933 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.452 ' H ' ' HB2' ' A' ' 52' ' ' SER . 29.0 m -68.15 127.01 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.427 0.632 . . . . 0.0 111.782 -174.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.56 -6.88 58.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.692 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 p -64.34 -22.26 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.436 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 2.0 ptm180 -86.11 40.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.917 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.57 164.73 24.62 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.75 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 pp -96.25 145.14 25.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.976 0.417 . . . . 0.0 111.187 -173.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.56 131.46 60.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.188 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.6 161.43 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.436 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -125.75 136.22 52.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -95.98 -53.81 3.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.092 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.4 ' C ' ' H ' ' A' ' 65' ' ' GLU . 25.0 tp60 -161.19 73.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.06 -27.18 3.13 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.043 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' CD ' ' HD2' ' A' ' 78' ' ' ARG . 7.9 tp10 -88.58 135.67 33.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.56 130.21 49.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.392 -172.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -127.36 135.15 50.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.37 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.482 ' HB ' HD21 ' A' ' 79' ' ' LEU . 7.4 p -111.9 128.0 68.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.031 0.443 . . . . 0.0 110.063 176.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.17 114.69 29.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.22 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.744 ' HB3' HD11 ' A' ' 72' ' ' LEU . 16.9 m -89.77 116.43 66.33 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.702 -177.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -74.2 23.52 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.715 2.943 . . . . 0.0 112.295 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 70' ' ' SER . 6.8 mp -83.2 -18.05 40.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.602 0.715 . . . . 0.0 109.135 176.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 74' ' ' LYS . 14.3 tppt? -160.38 -83.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.753 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' H ' ' HB3' ' A' ' 73' ' ' LYS . 15.2 tptp -174.99 21.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 175.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -85.5 142.51 29.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.991 -170.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -124.58 134.87 52.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.424 0.631 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -118.95 145.09 46.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.18 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.538 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 19.1 ttp180 -93.72 90.11 6.45 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.482 HD21 ' HB ' ' A' ' 68' ' ' VAL . 2.2 pp -66.36 -13.38 60.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -170.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 p -64.39 -49.03 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.853 0.358 . . . . 0.0 111.02 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -119.77 4.31 11.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.956 0.408 . . . . 0.0 111.232 -178.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.75 38.29 24.19 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.906 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 78' ' ' ARG . 16.6 tp -98.28 145.66 26.43 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.555 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 51.9 m -103.68 143.86 32.21 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 58.9 mtp -64.58 -54.99 23.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.928 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.92 -41.29 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.383 0.611 . . . . 0.0 110.697 -177.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.495 ' HB2' ' HB2' ' A' ' 84' ' ' CYS . 0.7 OUTLIER -82.14 10.4 6.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.975 -176.13 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.485 ' HG3' HD13 ' A' ' 83' ' ' LEU . 34.9 tt0 -33.73 -50.51 0.36 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.544 1.538 . . . . 0.0 114.526 -171.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -60.15 -26.64 66.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -113.71 -59.12 2.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.731 0.3 . . . . 0.0 110.272 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.555 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 64.9 m 63.05 179.76 0.15 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.292 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 m -94.54 178.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.558 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -77.95 126.06 30.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.909 0.385 . . . . 0.0 111.082 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -89.53 127.08 35.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.898 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -102.61 138.07 40.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -88.6 117.27 27.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.017 0.437 . . . . 0.0 110.16 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.54 156.78 27.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.239 -175.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -152.98 157.41 40.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.567 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.516 HG23 ' HB2' ' A' ' 37' ' ' ASP . 46.2 t -99.9 103.84 15.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.193 0.52 . . . . 0.0 109.992 175.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -91.43 94.14 9.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.424 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 t70 60.31 24.22 13.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.262 174.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.8 4.62 34.01 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.152 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 33.4 t -118.26 141.51 37.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.984 0.392 . . . . 0.0 110.332 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 t -82.95 115.62 25.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.779 0.323 . . . . 0.0 110.773 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -105.21 138.58 41.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.859 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.496 HD11 HD12 ' A' ' 30' ' ' ILE . 90.9 mt -121.81 123.58 42.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.894 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.403 HH11 ' HG2' ' A' ' 107' ' ' ARG . 42.4 ttp85 -110.52 105.49 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.221 0.534 . . . . 0.0 109.566 171.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.642 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.469 177.903 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 75.3 m95 -61.63 103.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.981 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 47.2 mtpt -72.6 134.54 45.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.393 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -82.03 107.12 14.48 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.8 mm -87.12 -73.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.1 0.476 . . . . 0.0 110.939 -176.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 t -161.26 168.87 23.25 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -69.06 148.79 49.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.484 HD12 ' HD2' ' A' ' 32' ' ' ARG . 10.7 tp -69.69 -13.85 17.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.66 0.743 . . . . 0.0 109.942 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.67 -27.14 67.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.865 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.78 -40.94 46.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.743 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.494 HD13 HG22 ' A' ' 104' ' ' VAL . 41.1 mt -90.48 109.37 20.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.36 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 83.1 mt -79.22 166.72 39.94 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.575 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 16.0 Cg_endo -59.48 144.58 99.38 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.306 2.004 . . . . 0.0 111.972 174.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.515 ' HA ' HD12 ' A' ' 59' ' ' ILE . 43.0 mt-10 62.36 28.26 16.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.307 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 m -121.34 136.74 54.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.918 0.39 . . . . 0.0 111.284 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -121.28 143.04 15.83 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.28 157.5 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.845 0.322 . . . . 0.0 110.724 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -97.07 131.51 43.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.901 0.382 . . . . 0.0 110.858 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.33 178.34 7.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.654 176.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.31 138.44 54.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.917 0.389 . . . . 0.0 111.036 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -141.03 101.4 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.62 -103.18 2.51 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -177.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -129.49 1.44 5.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.071 0.462 . . . . 0.0 110.084 174.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -103.09 144.75 30.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.823 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.24 124.6 32.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.852 176.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -109.05 133.32 54.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.427 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.02 114.46 27.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.851 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.481 HD12 HD11 ' A' ' 106' ' ' LEU . 46.2 mt -94.55 111.52 25.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.07 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.417 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 97.5 m-85 -108.37 125.5 51.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 -178.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.484 ' HD2' HD12 ' A' ' 10' ' ' ILE . 76.1 ttt180 -101.16 100.13 12.54 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 87.1 Cg_endo -86.7 -38.71 0.08 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.589 2.193 . . . . 0.0 113.005 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 96.6 m-85 -90.1 164.32 14.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.764 0.316 . . . . 0.0 110.423 -178.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 2.1 t60 -79.71 -9.54 59.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.196 0.522 . . . . 0.0 110.284 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -100.57 -155.7 0.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.15 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -82.15 0.75 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.72 0.408 . . . . 0.0 111.822 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.464 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 46.2 mt-30 -70.57 106.07 3.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.847 0.356 . . . . 0.0 110.739 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 m -126.83 154.44 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.873 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -140.47 149.55 42.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.43 140.78 47.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.942 0.401 . . . . 0.0 111.244 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.2 pt -139.98 173.4 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.66 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.605 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 13.9 p -64.35 134.18 54.11 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.514 HD22 HG11 ' A' ' 53' ' ' VAL . 66.7 t30 -80.62 6.15 13.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.634 -172.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.1 129.86 61.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.638 ' HB2' HD23 ' A' ' 54' ' ' LEU . 5.1 t70 -92.08 114.46 62.2 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 169.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.55 -1.57 9.67 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.475 2.117 . . . . 0.0 113.862 -174.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -91.51 -58.47 2.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.967 0.413 . . . . 0.0 110.349 -178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -96.01 -5.24 41.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.094 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 65.97 54.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.485 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.492 ' OG ' ' HB3' ' A' ' 46' ' ' ASP . 13.1 p -102.53 129.77 49.17 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -12.27 60.02 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.514 HG11 HD22 ' A' ' 44' ' ' ASN . 13.7 m -128.69 123.94 60.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.235 -0.586 . . . . 0.0 112.171 175.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.638 HD23 ' HB2' ' A' ' 46' ' ' ASP . 74.6 mt -92.64 -18.06 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 166.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -65.2 -12.93 56.48 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.384 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 6.8 tpm_? -99.01 41.24 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.492 0.663 . . . . 0.0 109.849 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.55 164.63 24.61 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.662 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.4 149.28 21.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.845 0.355 . . . . 0.0 110.755 -173.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 16' ' ' GLU . 66.1 mt -94.92 117.5 38.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.037 177.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.76 130.49 55.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.498 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 62' ' ' HIS . 26.7 tt0 -77.34 171.64 14.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.884 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.423 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 17.4 t-80 -145.61 -85.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 174.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.415 ' C ' ' H ' ' A' ' 65' ' ' GLU . 14.9 mm100 -129.49 76.06 1.7 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.77 -18.84 6.83 Favored Glycine 0 CA--C 1.517 0.216 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.725 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 63' ' ' GLN . 4.4 mt-10 -88.69 142.52 27.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.333 -0.434 . . . . 0.0 109.838 -177.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 95.2 mt -112.42 106.99 15.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.201 0.524 . . . . 0.0 109.726 174.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -96.63 148.67 22.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.02 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 8.2 p -98.84 127.5 51.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 171.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -112.32 123.78 51.03 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.945 -176.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.3 m -78.01 113.55 34.15 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.898 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.05 -6.81 16.94 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.865 2.377 . . . . 0.0 112.959 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.436 HD13 ' H ' ' A' ' 72' ' ' LEU . 6.1 mp -63.8 -37.37 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.004 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.923 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 4.8 mmpt? -146.46 -99.27 0.09 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.34 175.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -150.04 14.69 0.82 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.463 ' OE1' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -73.76 127.24 32.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.396 -175.203 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 76' ' ' ARG . 55.4 mtt180 -113.97 128.59 56.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.264 173.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.444 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 61.7 m-85 -116.68 126.99 54.0 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -83.85 115.43 22.25 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.48 -22.71 63.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.337 -172.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -60.31 -57.46 12.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.334 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.69 -28.31 12.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.383 -175.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.63 20.58 36.98 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -168.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' A' ' 88' ' ' GLU . 7.3 tp -84.18 141.04 31.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.775 -0.712 . . . . 0.0 110.774 -177.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.656 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 41.0 m -85.21 146.02 27.3 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 172.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.4 ttt -57.78 -72.07 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.525 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -92.79 -25.58 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.165 0.507 . . . . 0.0 110.961 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.509 ' HB3' ' HD2' ' A' ' 90' ' ' PHE . 18.7 m-20 -85.0 10.5 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.277 -177.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' HB2' HD13 ' A' ' 83' ' ' LEU . 10.0 pt-20 -37.03 -35.05 0.09 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -176.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.36 -21.86 66.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.749 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.509 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 31.1 m-85 -93.96 -72.39 0.61 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.656 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 70.5 m 61.89 176.32 0.12 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.157 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.605 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 35.4 m -121.98 172.88 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.08 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' A' ' 95' ' ' TYR . 7.6 ttpm? -85.57 131.6 34.33 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -88.68 143.45 26.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.068 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.444 ' CE1' ' HE2' ' A' ' 93' ' ' LYS . 66.6 m-85 -119.16 126.98 52.87 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.0 125.82 28.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.697 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -125.45 139.68 53.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.103 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -152.3 165.49 34.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.076 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.2 t -97.28 116.84 40.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.208 0.527 . . . . 0.0 110.839 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.458 ' HZ1' ' HB3' ' A' ' 100' ' ' LYS . 2.1 ttpm? -117.92 110.9 18.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.448 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 60.32 28.1 17.69 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 122.163 0.982 . . . . 0.0 109.59 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.59 -5.31 83.82 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.108 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.7 t -100.86 135.48 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.916 0.358 . . . . 0.0 110.474 -176.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.494 HG22 HD13 ' A' ' 13' ' ' ILE . 43.7 t -74.43 118.64 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.319 177.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.529 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 11.8 mm100 -100.9 142.78 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.507 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 30' ' ' ILE . 35.3 mt -122.92 124.71 43.82 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.468 0.48 . . . . 0.0 111.372 176.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -115.71 123.11 47.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 172.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.639 0 C-N-CA 120.002 -1.094 . . . . 0.0 112.796 -178.348 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.649 0.262 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.495 ' CE2' ' HD3' ' A' ' 107' ' ' ARG . 86.1 m95 -70.4 99.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -93.15 117.46 30.09 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.88 106.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.874 170.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.45 HD11 ' HB3' ' A' ' 21' ' ' ALA . 43.4 mm -80.99 -70.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.292 0.568 . . . . 0.0 110.644 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 t -159.15 169.53 23.98 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HG2' HG21 ' A' ' 103' ' ' VAL . 96.0 mttt -83.11 151.27 25.82 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.05 0.452 . . . . 0.0 110.528 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tp -66.24 -7.86 6.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.51 0.672 . . . . 0.0 110.551 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.35 -22.05 61.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.539 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.31 -38.83 13.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.083 0.468 . . . . 0.0 110.922 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.632 HD12 HG22 ' A' ' 104' ' ' VAL . 39.7 mt -81.39 99.09 4.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.244 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.1 166.03 48.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.626 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.37 142.27 88.66 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 60.2 28.25 17.82 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.423 0.689 . . . . 0.0 111.458 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -118.79 126.82 52.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.021 0.439 . . . . 0.0 111.231 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.538 ' HA2' ' HA ' ' A' ' 31' ' ' PHE . . . -105.46 134.79 12.24 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 171.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.09 172.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.902 0.351 . . . . 0.0 111.369 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.59 112.34 24.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.311 0.576 . . . . 0.0 111.007 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB1' ' HB ' ' A' ' 28' ' ' VAL . . . -103.12 117.89 35.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.455 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.69 107.9 17.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.906 0.384 . . . . 0.0 110.604 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.421 HD22 HD12 ' A' ' 106' ' ' LEU . 47.4 tp -107.82 101.97 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 174.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.3 -102.75 1.21 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -172.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -129.37 0.58 5.08 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 171.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.93 122.46 32.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.251 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -80.99 118.62 22.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.952 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.528 ' HB ' ' HB1' ' A' ' 21' ' ' ALA . 44.8 t -99.47 132.05 45.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.026 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -99.48 107.72 19.99 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -100.56 103.79 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.967 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.538 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 88.9 m-85 -96.6 124.51 40.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.243 -177.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -98.43 99.71 7.86 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 166.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.439 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 48.6 Cg_endo -93.41 -1.61 3.35 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 123.072 2.515 . . . . 0.0 113.62 -173.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -128.22 175.96 8.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.404 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -83.61 -9.42 58.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.372 0.606 . . . . 0.0 109.573 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 p -88.92 -169.52 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.629 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -91.78 20.26 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 111.327 -177.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.409 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 17.7 mm100 -77.49 114.33 16.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.102 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 m -125.03 139.3 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.889 0.376 . . . . 0.0 110.539 -178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -124.26 124.01 41.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.07 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -108.71 124.37 50.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.406 -176.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.5 pt -130.14 -172.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.104 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.9 m -71.35 125.06 25.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.496 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 65.7 t30 -78.37 -24.57 46.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.035 0.445 . . . . 0.0 110.768 -176.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.3 mm -107.61 131.42 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.347 177.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.699 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 9.6 t70 -68.22 132.12 91.8 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.388 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 9.4 Cg_endo -91.58 -47.81 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.349 2.7 . . . . 0.0 114.13 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' HB2' ' OD2' ' A' ' 87' ' ' ASP . 72.5 t80 -69.96 -47.04 63.88 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.325 0.583 . . . . 0.0 111.404 -173.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -98.37 -27.56 14.04 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.19 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.699 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 39.4 tt0 67.61 111.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.698 -176.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.509 ' N ' ' HB3' ' A' ' 46' ' ' ASP . 18.9 m -145.98 -177.03 5.38 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.47 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 m -86.92 -162.19 0.76 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.781 0.324 . . . . 0.0 110.829 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.37 140.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.928 -174.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.2 mt -86.29 -3.69 59.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.192 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t -62.07 -19.82 63.34 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.087 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -104.42 40.56 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.67 0.747 . . . . 0.0 109.905 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.43 164.57 24.58 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.488 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -97.33 146.18 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.009 0.433 . . . . 0.0 111.106 -171.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -101.08 122.32 53.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.295 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.95 -178.01 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.463 ' HG3' HD22 ' A' ' 66' ' ' LEU . 33.6 tt0 -118.78 139.95 50.75 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.668 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.472 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 27.6 t-80 -76.97 -60.26 2.43 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 7.3 tt0 170.41 81.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.446 -1.252 . . . . 0.0 107.656 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.32 -51.83 0.78 Allowed Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -171.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -96.43 145.7 25.43 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.76 0.314 . . . . 0.0 111.024 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.463 HD22 ' HG3' ' A' ' 61' ' ' GLU . 89.9 mt -94.36 138.86 31.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.994 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.435 ' HZ3' ' HB2' ' A' ' 85' ' ' MET . 14.1 m95 -127.75 146.2 50.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.212 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 9.3 p -96.85 134.72 33.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.039 0.447 . . . . 0.0 110.524 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -106.76 127.02 53.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.213 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 73' ' ' LYS . 15.2 t -87.49 127.13 59.74 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.856 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -85.34 -6.31 9.17 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.749 2.3 . . . . 0.0 111.224 171.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.9 mt -75.91 -46.57 29.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 70' ' ' SER . 0.1 OUTLIER -147.37 134.86 20.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 171.227 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -61.65 100.83 0.16 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.104 0.478 . . . . 0.0 110.442 -176.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.402 HE21 ' HG3' ' A' ' 86' ' ' GLU . 35.2 tt0 -168.33 153.27 6.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -174.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -127.44 143.47 51.2 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.423 0.63 . . . . 0.0 112.462 -174.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.468 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 32.4 m-85 -121.24 138.98 53.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.876 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.769 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 73.1 ttt180 -76.61 120.38 21.72 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 68' ' ' VAL . 90.1 mt -73.8 -47.77 36.39 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -176.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -45.26 84.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.09 0.471 . . . . 0.0 111.663 -175.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.769 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 5.7 t70 -106.84 -48.17 3.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.978 -172.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 92' ' ' VAL . . . 118.71 -3.43 15.05 Favored Glycine 0 C--N 1.323 -0.193 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.004 -178.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 88' ' ' GLU . 24.8 tp -58.41 101.91 0.1 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.496 -0.352 . . . . 0.0 111.656 175.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 26.1 t -74.43 126.02 29.81 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 167.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.435 ' HB2' ' HZ3' ' A' ' 67' ' ' TRP . 11.8 ttt -62.62 -26.93 68.87 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.741 -0.383 . . . . 0.0 111.976 -170.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.402 ' HG3' HE21 ' A' ' 75' ' ' GLN . 49.1 mm-40 -92.55 -11.13 35.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 111.642 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.473 ' OD2' ' HB2' ' A' ' 48' ' ' PHE . 9.0 t0 -106.91 10.71 30.48 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 17.2 tt0 -34.17 -36.65 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -172.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -61.37 -47.03 87.72 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -114.89 -38.49 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.539 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 42.7 m 71.68 -176.4 0.19 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.117 0.567 . . . . 0.0 111.01 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 82' ' ' GLY . 15.3 m -99.23 174.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.783 0.325 . . . . 0.0 110.604 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -85.25 109.56 18.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -86.89 121.69 29.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.925 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -96.31 164.47 12.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.699 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -100.88 113.15 25.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.552 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -120.67 142.67 49.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.549 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -147.04 151.5 37.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.17 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.3 t -96.06 92.36 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.15 0.5 . . . . 0.0 110.158 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -94.68 113.61 25.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.014 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 62.66 18.25 10.42 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.265 0.353 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.86 5.07 63.01 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.153 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.512 HG21 ' HG2' ' A' ' 9' ' ' LYS . 67.4 t -111.29 126.69 68.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.744 0.307 . . . . 0.0 110.518 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.632 HG22 HD12 ' A' ' 13' ' ' ILE . 20.8 t -77.65 112.42 15.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.465 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 75.0 mt-30 -102.57 138.85 38.93 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.048 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.421 HD12 HD22 ' A' ' 23' ' ' LEU . 2.6 tm? -118.49 126.41 51.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.392 -176.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.495 ' HD3' ' CE2' ' A' ' 4' ' ' TRP . 6.5 ttp180 -117.98 136.64 53.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.922 174.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.649 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.438 177.625 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.718 0.294 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -70.05 107.77 3.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.998 174.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -97.61 123.96 41.7 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.044 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.4 136.71 53.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 mm -102.89 -67.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.23 0.538 . . . . 0.0 109.779 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 p -158.46 -175.66 5.45 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 62.4 mttm -83.04 149.46 26.93 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.663 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 99' ' ' VAL . 18.1 tt -71.1 -18.12 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.283 0.563 . . . . 0.0 110.465 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.26 -29.32 70.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.18 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.97 -24.59 63.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.97 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 mt -103.58 106.0 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.157 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.27 158.25 88.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.013 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.71 142.44 98.61 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.255 1.97 . . . . 0.0 111.302 174.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 70.09 24.48 5.0 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.827 0.704 . . . . 0.0 110.96 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -120.68 143.96 48.45 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.002 0.429 . . . . 0.0 111.27 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.09 143.7 15.29 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.03 175.11 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.709 0.29 . . . . 0.0 111.122 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -109.76 143.35 39.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.378 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.01 160.56 39.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.636 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.2 122.56 46.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.953 0.406 . . . . 0.0 110.995 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 tt -122.78 102.88 8.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.4 -100.76 0.83 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.405 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -123.77 -7.73 7.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.163 0.506 . . . . 0.0 109.965 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -93.06 129.12 39.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.893 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -81.57 122.61 27.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.768 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -111.25 138.47 39.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.227 -174.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.31 116.22 32.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.188 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.422 HD12 HD11 ' A' ' 106' ' ' LEU . 61.0 mt -98.86 115.14 38.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.172 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -111.97 124.77 53.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.359 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -111.74 100.01 46.91 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HB2' HD12 ' A' ' 66' ' ' LEU . 55.8 Cg_endo -89.47 -35.72 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.539 2.159 . . . . 0.0 112.93 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -89.89 168.17 12.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.166 0.507 . . . . 0.0 111.313 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -86.09 -17.23 35.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.787 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 m -72.34 -171.79 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.588 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -89.07 5.26 45.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.025 0.441 . . . . 0.0 110.766 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -78.46 109.38 12.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.051 0.453 . . . . 0.0 110.768 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -115.35 160.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.205 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -128.44 133.82 48.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.777 0.322 . . . . 0.0 110.407 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.81 119.96 33.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.178 0.513 . . . . 0.0 111.167 -176.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.5 pt -124.77 175.3 7.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.679 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.0 t -62.77 133.98 55.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.591 HD22 HG12 ' A' ' 53' ' ' VAL . 67.0 t30 -89.33 -4.15 58.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.164 0.507 . . . . 0.0 110.563 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.34 124.98 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -175.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.75 ' HB2' HD23 ' A' ' 54' ' ' LEU . 6.1 t70 -89.29 126.01 59.99 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.872 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 2.9 Cg_endo -86.9 -8.41 6.83 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.089 2.526 . . . . 0.0 113.367 -177.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -85.39 -51.68 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.653 0.264 . . . . 0.0 111.032 -174.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 97.3 m-85 -105.47 -1.23 25.17 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 42.6 mt-10 62.1 60.19 1.53 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.306 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.556 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 47.6 t -102.23 143.15 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.769 -177.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 p -81.52 -23.38 37.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.996 -175.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.591 HG12 HD22 ' A' ' 44' ' ' ASN . 16.6 m -128.52 124.05 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.391 0.615 . . . . 0.0 112.456 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.75 HD23 ' HB2' ' A' ' 46' ' ' ASP . 63.5 mt -92.48 -12.82 31.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.999 168.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 p -71.04 -1.59 12.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.859 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -93.75 40.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.74 164.69 24.67 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.853 -176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.68 144.91 28.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.689 0.28 . . . . 0.0 111.014 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.7 mt -90.14 127.72 42.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.156 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.38 139.16 28.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -89.37 135.26 33.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.625 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -88.53 -71.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -150.28 97.51 2.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.826 175.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.73 -46.93 3.56 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.722 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -88.87 138.67 31.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 33' ' ' PRO . 90.3 mt -88.67 130.69 35.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.419 178.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 76' ' ' ARG . 35.1 m95 -118.81 159.7 23.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.106 -177.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 p -115.48 134.4 58.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -109.99 116.66 31.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.043 0.449 . . . . 0.0 111.257 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.513 ' HB3' ' HB2' ' A' ' 75' ' ' GLN . 40.5 t -85.11 124.24 72.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.077 177.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 5.0 Cg_exo -75.48 5.66 4.08 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.304 2.67 . . . . 0.0 113.0 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.72 -56.01 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.299 . . . . 0.0 110.55 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 32.7 tptt -146.65 27.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.914 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt 64.62 61.8 0.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.83 0.824 . . . . 0.0 110.199 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 70' ' ' SER . 29.8 mt-30 -99.87 130.48 46.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.179 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.443 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 13.4 ttm180 -119.07 123.13 43.7 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.477 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -115.01 149.21 37.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.083 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.483 ' NH2' HD22 ' A' ' 83' ' ' LEU . 53.3 ttp180 -94.12 122.05 36.25 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.41 -8.77 57.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.059 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.3 m -58.46 -30.73 67.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 111.167 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -147.63 -70.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.103 0.478 . . . . 0.0 110.067 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.11 42.17 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.517 HD23 ' HG3' ' A' ' 88' ' ' GLU . 6.4 tp -101.99 149.52 24.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.291 -0.454 . . . . 0.0 110.42 -174.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 42.1 t -96.86 149.71 21.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -63.01 1.45 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.693 0.282 . . . . 0.0 111.019 -175.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -88.07 -32.48 18.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.218 0.532 . . . . 0.0 110.694 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 3.3 t0 -81.08 10.71 4.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.288 -175.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.517 ' HG3' HD23 ' A' ' 83' ' ' LEU . 42.0 tt0 -34.2 -38.69 0.07 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.218 1.007 . . . . 0.0 113.405 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.83 -41.49 87.02 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.422 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -137.96 83.91 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.5 . . . . 0.0 109.898 -177.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -97.91 -164.55 1.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.536 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -93.11 178.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.259 0.552 . . . . 0.0 112.099 -173.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -88.09 134.6 33.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.944 -174.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -105.8 127.86 53.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.261 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -106.65 146.72 30.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -80.72 137.47 36.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.58 148.61 50.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.709 0.29 . . . . 0.0 111.166 -177.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -146.68 158.97 44.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.942 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.425 HG22 HD12 ' A' ' 10' ' ' ILE . 95.2 t -114.14 110.39 31.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.195 0.521 . . . . 0.0 109.857 175.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -116.35 116.34 27.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.129 -176.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 61.73 25.64 15.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.283 0.564 . . . . 0.0 109.976 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.66 8.06 80.73 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.611 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.471 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 24.4 t -109.76 132.2 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.979 0.39 . . . . 0.0 110.552 -177.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.89 115.24 20.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -112.71 137.64 50.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.422 HD11 HD12 ' A' ' 30' ' ' ILE . 83.1 mt -112.77 138.84 48.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.022 0.439 . . . . 0.0 111.27 -177.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -123.28 141.98 51.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.483 176.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.73 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.168 176.341 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.555 HE22 HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 121.199 0.523 . . . . 0.0 110.587 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -67.17 116.52 8.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.092 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 36.0 mmtm -97.5 123.56 41.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.045 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.27 100.45 5.1 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.6 mm -85.75 -82.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.467 0.651 . . . . 0.0 110.906 -174.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 81.8 m -146.64 -165.27 2.19 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 6.3 mtpm? -100.14 159.19 15.3 Favored 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.925 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.9 tt -72.27 -10.3 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.73 0.776 . . . . 0.0 109.578 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.79 -19.87 61.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.965 175.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -81.94 -18.08 44.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.929 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 mt -113.61 125.95 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.984 0.421 . . . . 0.0 110.681 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 88.5 mt -89.04 165.9 24.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.664 -177.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 19.9 Cg_endo -61.43 132.88 43.01 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.218 1.945 . . . . 0.0 111.638 174.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' OE1' ' HB2' ' A' ' 15' ' ' PRO . 2.7 mp0 60.71 42.45 13.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.809 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -135.08 157.51 46.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.678 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.46 143.82 15.6 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.174 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -123.59 169.8 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.506 0.193 . . . . 0.0 110.59 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.1 m -109.03 129.23 55.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.656 0.265 . . . . 0.0 110.49 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.46 155.22 47.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.731 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.16 112.11 23.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.984 0.421 . . . . 0.0 110.886 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD21 HE22 ' A' ' 3' ' ' GLN . 10.1 tt -106.98 96.99 6.83 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.09 -100.41 0.64 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.348 -0.929 . . . . 0.0 110.816 -173.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -122.99 6.97 9.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 171.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -84.8 115.03 22.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.199 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -80.07 102.42 9.3 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.428 HG12 HD13 ' A' ' 106' ' ' LEU . 42.1 t -106.33 137.35 37.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.079 -172.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . . . -104.33 112.68 25.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.681 175.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.423 HD11 HD12 ' A' ' 106' ' ' LEU . 43.0 mt -90.76 107.69 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.73 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.23 129.62 48.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -104.25 99.86 19.12 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 167.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 75.5 Cg_endo -89.74 -29.81 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.84 2.36 . . . . 0.0 112.946 -176.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -99.77 155.97 17.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -72.82 -16.31 61.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.309 0.576 . . . . 0.0 110.145 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -90.11 -153.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.169 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -85.97 0.74 52.48 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.618 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.442 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 9.2 tt0 -78.48 102.97 8.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.484 -175.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -119.08 156.67 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.52 135.55 40.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.077 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.86 131.93 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.819 0.342 . . . . 0.0 110.83 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.7 pt -138.31 178.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.678 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -67.9 132.2 46.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.613 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 28.5 p-10 -81.23 -17.4 49.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.948 -176.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.4 mt -111.61 117.29 54.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.001 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.74 ' HB3' ' HZ ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -70.57 133.76 86.73 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.467 175.683 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 16.6 Cg_exo -67.93 -49.85 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.437 2.758 . . . . 0.0 114.453 -169.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -91.59 -39.72 11.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.146 0.498 . . . . 0.0 110.353 -173.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.674 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 7.5 t80 -74.46 -29.42 61.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.313 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 59.59 59.88 2.43 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 173.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.425 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 3.9 m -102.9 161.91 13.36 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 168.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -93.29 -48.81 6.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.55 124.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.501 ' HA ' ' HG ' ' A' ' 70' ' ' SER . 61.5 mt -92.31 -19.51 22.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.85 170.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 m -64.22 -27.16 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.093 -174.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.33 40.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.832 0.349 . . . . 0.0 110.749 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.67 164.58 24.65 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.608 ' H ' HD21 ' A' ' 58' ' ' LEU . 2.6 pt? -91.33 151.9 20.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.978 0.418 . . . . 0.0 110.887 -175.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -106.51 120.66 58.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.46 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -123.65 152.48 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.839 0.352 . . . . 0.0 111.211 -176.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -85.1 126.06 33.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.891 177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -85.39 -76.19 0.33 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.273 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -132.15 11.84 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.436 0.636 . . . . 0.0 109.386 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.21 -30.43 1.75 Allowed Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.873 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.05 149.01 21.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 97.8 mt -93.53 122.87 36.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.158 0.504 . . . . 0.0 111.121 -177.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -111.97 132.77 54.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.978 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.51 137.29 24.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -129.37 117.99 21.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.501 ' HG ' ' HA ' ' A' ' 54' ' ' LEU . 17.1 m -82.49 138.4 44.59 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.946 177.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.3 Cg_exo -72.82 21.86 0.31 Allowed 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.609 2.873 . . . . 0.0 113.456 -175.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.44 -84.17 0.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.711 0.291 . . . . 0.0 110.226 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -112.31 26.76 10.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.749 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt 63.73 30.33 14.71 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.741 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 4.2 pt20 -63.49 142.21 58.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.092 -178.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -123.5 121.44 35.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.558 -172.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.74 ' HZ ' ' HB3' ' A' ' 46' ' ' ASP . 42.4 m-85 -123.34 131.9 53.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 111.181 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -88.46 104.69 17.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.075 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.18 -22.88 66.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.301 -174.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -58.43 -49.03 78.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.558 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -126.82 -8.52 6.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.482 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.78 12.22 53.55 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.992 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -75.21 136.01 41.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.665 -0.315 . . . . 0.0 110.733 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 87' ' ' ASP . 51.9 t -97.09 153.76 17.75 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -44.03 16.24 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -77.41 -46.38 22.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.554 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 5.1 m-20 -87.19 9.97 18.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.357 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -34.04 -47.34 0.27 Allowed 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -166.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -61.78 -31.46 71.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.231 0.469 . . . . 0.0 111.853 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -104.15 -58.08 1.94 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.18 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.9 m 62.87 -172.78 0.16 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.576 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.95 167.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.104 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 33.1 mmtm -83.37 130.9 35.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.188 0.518 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -84.94 112.48 20.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.518 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.518 ' CD1' ' HA3' ' A' ' 108' ' ' GLY . 31.1 m-85 -98.95 138.62 35.8 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -79.78 115.72 19.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.278 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.05 131.44 55.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.129 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -131.82 159.59 38.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.546 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.7 t -106.76 97.15 5.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.796 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -95.63 106.04 18.1 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.286 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.8 t70 66.46 3.38 2.82 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.41 0.624 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.03 4.39 25.89 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.907 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.546 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 67.2 t -104.84 137.72 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.5 t -82.37 116.21 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 63.9 mt-30 -114.7 132.76 56.3 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.504 175.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.428 HD13 HG12 ' A' ' 28' ' ' VAL . 93.9 mt -108.87 136.94 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.322 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -122.58 113.89 19.89 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 172.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.518 ' HA3' ' CD1' ' A' ' 95' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.916 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.071 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 121.003 0.43 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 98.7 m95 -69.52 101.97 1.72 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.443 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -83.27 110.56 18.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.702 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.807 ' HB3' HE21 ' A' ' 105' ' ' GLN . 7.9 p-10 -75.7 123.85 26.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.214 0.53 . . . . 0.0 110.044 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 mm -93.59 -78.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.349 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.4 m -142.53 -168.44 2.74 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 63.5 mttp -88.93 157.84 18.27 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.562 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 tp -70.26 -11.74 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.6 0.714 . . . . 0.0 109.804 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -74.93 -28.6 60.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.9 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.34 -34.81 78.81 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.219 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.47 HD13 HG23 ' A' ' 104' ' ' VAL . 22.6 mt -104.03 92.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.133 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.774 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -70.98 167.13 31.41 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.35 178.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HB3' ' HD1' ' A' ' 35' ' ' HIS . 73.9 Cg_exo -52.06 141.5 47.36 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.571 2.181 . . . . 0.0 112.873 178.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.501 ' OE2' ' HE1' ' A' ' 35' ' ' HIS . 1.4 mp0 54.51 46.71 24.32 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.538 -178.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.648 ' OG1' ' HG ' ' A' ' 14' ' ' LEU . 33.7 m -132.14 136.63 47.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.045 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -121.45 126.83 6.67 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.69 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 m -116.76 152.05 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.975 0.416 . . . . 0.0 110.942 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 p -94.74 120.32 34.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.82 167.78 17.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.97 138.2 52.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.22 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 tt -125.42 95.04 4.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.4 -89.01 0.61 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.622 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -128.03 -8.87 5.41 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 149.9 21.72 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.123 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.45 107.11 19.24 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.476 HG12 HD12 ' A' ' 106' ' ' LEU . 38.6 t -108.82 128.68 64.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.058 0.456 . . . . 0.0 111.107 -172.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.501 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -96.32 121.14 37.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.626 176.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.438 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 28.5 mt -100.82 120.15 49.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.508 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 81.2 m-85 -121.12 120.55 35.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.832 -174.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -97.71 99.9 7.45 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 66.1 Cg_endo -90.87 1.92 4.82 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.201 2.601 . . . . 0.0 113.487 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -133.58 177.08 7.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.957 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' HE1' ' OE2' ' A' ' 16' ' ' GLU . 3.3 m-70 -89.82 -8.04 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.6 p -88.66 -159.62 0.58 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.36 -176.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -90.81 8.29 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.136 -176.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -84.04 118.89 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.971 -177.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.71 145.41 35.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.4 ' CD2' ' HG3' ' A' ' 33' ' ' PRO . 34.3 m-85 -121.01 153.19 37.67 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB3' ' HB2' ' A' ' 95' ' ' TYR . . . -131.12 135.66 47.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.606 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.6 pt -140.17 178.08 3.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.122 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.9 m -59.98 128.0 34.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.501 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 55.7 t30 -83.1 -31.23 27.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.305 -0.407 . . . . 0.0 112.032 -173.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 51' ' ' SER . 36.8 mm -93.55 139.3 18.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.45 ' OD2' ' HB2' ' A' ' 51' ' ' SER . 9.9 m-20 -57.14 105.83 0.59 Allowed Pre-proline 0 N--CA 1.468 0.459 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 172.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 35.1 Cg_exo -57.34 -65.28 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 123.254 2.636 . . . . 0.0 113.552 -166.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -88.94 -10.74 46.64 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.856 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 5.8 t80 -94.17 -18.64 21.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.097 -176.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 67.68 35.32 4.08 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.817 0.447 . . . . 0.0 111.929 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.563 ' O ' HG22 ' A' ' 45' ' ' ILE . 67.6 m -102.4 -165.78 1.22 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.955 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -92.44 -151.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.165 0.507 . . . . 0.0 111.834 -171.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 m -76.16 135.29 27.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.518 -172.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 58.2 mt -74.92 -10.35 59.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.396 176.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -66.75 -14.37 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.765 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 51.8 ttm-85 -97.39 40.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.578 0.704 . . . . 0.0 109.31 175.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.84 164.66 24.7 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.843 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.663 ' H ' HD21 ' A' ' 58' ' ' LEU . 2.5 pt? -99.85 151.7 20.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.823 0.344 . . . . 0.0 111.033 -175.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.6 mt -104.43 121.05 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.754 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -125.51 139.21 53.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.163 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -86.9 129.19 34.98 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.008 0.432 . . . . 0.0 110.693 -177.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -77.64 -56.34 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 5.9 tp60 176.31 86.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.78 -32.02 3.52 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.527 -172.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.85 139.1 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.347 0.259 . . . . 0.0 110.351 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.71 114.77 29.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.899 0.38 . . . . 0.0 110.463 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -110.39 144.07 39.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.421 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.33 143.18 22.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.26 128.49 41.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.799 0.333 . . . . 0.0 111.518 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 p -82.83 119.64 74.81 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.794 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.65 2.35 2.52 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.93 2.42 . . . . 0.0 113.01 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 51' ' ' SER . 6.6 mp -77.29 -30.27 54.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.205 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.485 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 62.3 tttp -136.75 -16.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.646 175.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 67.82 42.37 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.013 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -87.25 142.68 27.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.367 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -99.49 121.54 41.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.979 0.418 . . . . 0.0 111.749 -174.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -115.05 123.42 48.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.466 178.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -87.49 100.62 12.9 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.08 -11.11 46.47 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.25 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -64.56 -48.68 74.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 19.0 p-10 -118.66 -28.73 5.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.338 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 91' ' ' SER . . . 108.71 13.6 18.05 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.426 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.0 tp -83.77 137.6 33.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.991 0.424 . . . . 0.0 111.287 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 38.6 m -102.36 133.66 46.92 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 172.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 23.1 ttt -71.94 -30.3 65.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.947 0.403 . . . . 0.0 111.234 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -92.58 -32.3 14.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.345 0.593 . . . . 0.0 110.749 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.476 ' HB3' ' HB2' ' A' ' 84' ' ' CYS . 20.1 t70 -106.74 10.44 30.87 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.567 -169.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -36.9 -32.77 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -171.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.24 -35.42 73.65 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.221 0.464 . . . . 0.0 111.162 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -111.46 -61.26 1.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.681 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.646 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 47.2 m 63.24 -169.12 0.19 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.731 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.0 m -106.75 163.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -92.46 139.69 30.33 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.406 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 36.8 t-80 -87.42 134.07 33.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.994 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.495 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 63.3 m-85 -118.51 145.0 45.65 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 175.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.52 142.88 27.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.887 0.375 . . . . 0.0 110.816 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.03 151.18 51.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -144.17 156.73 44.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.7 t -105.45 102.06 13.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -93.54 106.92 18.84 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 p30 47.79 24.98 0.64 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.02 0.928 . . . . 0.0 112.595 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.26 -9.02 26.81 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.994 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 11.7 t -101.18 132.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.941 0.37 . . . . 0.0 110.774 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.47 HG23 HD13 ' A' ' 13' ' ' ILE . 22.2 t -80.0 121.37 33.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.42 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.807 HE21 ' HB3' ' A' ' 6' ' ' ASP . 74.2 mt-30 -120.18 136.53 54.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.732 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.476 HD12 HG12 ' A' ' 28' ' ' VAL . 81.5 mt -112.67 137.68 50.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.305 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -115.39 106.16 13.67 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.814 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.176 -179.053 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.582 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 96.1 m95 -75.48 83.68 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 171.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -78.97 134.56 36.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.545 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -73.25 140.25 46.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.0 mm -113.38 -71.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.19 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.5 m -144.4 173.64 11.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.724 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -90.04 136.95 32.73 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.417 HD11 HG23 ' A' ' 99' ' ' VAL . 15.6 tt -65.92 -16.14 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.031 0.444 . . . . 0.0 111.324 -174.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -25.26 64.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.471 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -82.29 -33.53 29.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.115 0.483 . . . . 0.0 110.949 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.1 mt -85.55 105.77 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.71 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.41 165.78 47.95 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.691 ' HG3' ' HB3' ' A' ' 35' ' ' HIS . 44.9 Cg_exo -56.01 136.27 74.03 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.497 2.132 . . . . 0.0 112.279 176.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 63.5 43.58 5.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.526 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.6 m -129.94 140.59 50.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.297 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.09 143.71 15.8 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.991 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 m -124.37 160.11 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.781 0.324 . . . . 0.0 110.66 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -105.96 130.91 53.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.235 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.32 163.8 30.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 0.0 110.893 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 tt -117.97 121.96 42.01 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.84 93.08 4.32 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.63 -82.67 0.48 Allowed Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.908 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.3 -20.8 6.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.106 0.479 . . . . 0.0 111.254 -175.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -116.93 151.23 37.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.142 -170.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . 16.0 mm-40 -84.94 127.27 34.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.874 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.472 HG12 HD11 ' A' ' 106' ' ' LEU . 22.5 t -123.82 130.28 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.934 0.397 . . . . 0.0 110.702 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.468 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -102.27 124.63 48.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.076 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.453 HD13 HD13 ' A' ' 106' ' ' LEU . 51.0 mt -106.31 119.18 55.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.533 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 84.9 m-85 -113.47 128.13 56.34 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.336 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -105.56 100.06 24.58 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 171.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 55.7 Cg_endo -91.07 -24.88 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.954 2.436 . . . . 0.0 112.533 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.407 ' C ' ' H ' ' A' ' 36' ' ' SER . 92.0 m-85 -107.48 127.8 53.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.911 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.691 ' HB3' ' HG3' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -77.55 25.44 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 177.725 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 34' ' ' TYR . 53.7 m -104.55 -96.6 0.32 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.076 173.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -148.22 18.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.186 0.517 . . . . 0.0 110.824 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -105.25 116.44 31.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.529 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.94 151.65 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.791 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.59 148.17 44.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.451 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -134.81 129.24 34.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.809 0.338 . . . . 0.0 110.67 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.4 pt -136.24 -177.47 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.894 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.538 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 13.9 m -62.48 127.59 32.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.468 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 10.5 t30 -76.16 -28.68 57.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 51' ' ' SER . 38.8 mm -96.13 134.12 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.58 -176.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.615 ' OD1' ' HB2' ' A' ' 51' ' ' SER . 2.7 m-20 -58.54 122.27 59.31 Favored Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 171.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.86 -73.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.77 2.313 . . . . 0.0 113.366 -175.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.72 -25.64 18.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.625 0.25 . . . . 0.0 111.558 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -75.53 -28.38 59.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.396 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 61.62 95.19 0.04 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.435 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.615 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 75.0 m -148.97 173.8 12.96 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.439 ' O ' HD12 ' A' ' 45' ' ' ILE . 5.8 p -90.28 -51.47 5.42 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -170.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -128.96 124.46 60.99 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -171.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -92.31 -7.72 47.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.224 171.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.533 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 3.3 p -82.53 1.31 38.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.509 -174.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 mtp-105 -109.39 40.94 1.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.392 . . . . 0.0 110.828 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.69 164.66 24.66 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.662 ' H ' HD21 ' A' ' 58' ' ' LEU . 1.6 pt? -90.88 140.75 29.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.98 0.419 . . . . 0.0 111.364 -174.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 52.7 mt -96.5 125.74 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.753 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.25 152.7 51.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.966 0.412 . . . . 0.0 111.299 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.4 144.74 28.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 176.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -145.02 -19.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -169.99 28.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.923 0.392 . . . . 0.0 112.025 -173.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.39 13.51 61.5 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -134.17 142.56 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.828 0.347 . . . . 0.0 110.366 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.24 102.73 15.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.616 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -99.76 122.52 42.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.359 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.465 ' HB ' HD22 ' A' ' 79' ' ' LEU . 7.6 p -100.12 130.43 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -117.16 112.46 20.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.973 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.577 ' HB3' HD12 ' A' ' 72' ' ' LEU . 18.5 m -78.8 125.53 83.98 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.775 175.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.3 Cg_exo -73.43 10.16 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.245 2.63 . . . . 0.0 113.367 -174.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.577 HD12 ' HB3' ' A' ' 70' ' ' SER . 7.6 mp -65.47 -63.84 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 110.382 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -136.31 22.59 3.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.683 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.0 tttt 62.61 77.61 0.32 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.586 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.799 ' HG3' ' HE1' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -115.0 131.55 56.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.112 179.301 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -103.45 115.68 30.99 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.988 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.799 ' HE1' ' HG3' ' A' ' 75' ' ' GLN . 97.3 m-85 -118.21 133.16 56.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.259 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -91.51 92.1 8.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.465 HD22 ' HB ' ' A' ' 68' ' ' VAL . 3.3 pp -72.3 -12.57 61.2 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -172.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 p -74.87 -1.35 21.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.105 0.479 . . . . 0.0 110.859 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -149.79 -45.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.051 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.24 -17.79 8.45 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.923 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.1 tp -57.62 128.38 36.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.217 0.532 . . . . 0.0 111.274 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.1 m -103.95 124.61 49.3 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.6 ttt -67.06 -20.72 65.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.733 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -83.15 -46.88 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.23 0.538 . . . . 0.0 110.923 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -103.28 10.36 37.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.951 -170.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -34.02 -37.3 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.338 1.606 . . . . 0.0 115.338 -170.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.81 -25.08 62.82 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.982 0.42 . . . . 0.0 111.544 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -124.44 -57.36 1.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.928 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.2 m 65.49 177.05 0.21 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.013 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 43' ' ' SER . 34.5 m -91.36 167.31 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.072 176.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -92.59 127.16 37.99 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.982 0.42 . . . . 0.0 110.619 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -90.5 150.49 21.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.722 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -113.49 169.06 9.24 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -101.45 135.48 42.88 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -136.31 145.51 45.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.979 0.418 . . . . 0.0 111.846 -174.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.582 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 11.0 ptm180 -151.15 145.44 25.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.951 174.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.417 HG23 HD11 ' A' ' 10' ' ' ILE . 52.1 t -86.32 103.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.365 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.603 ' HB2' ' HG3' ' A' ' 105' ' ' GLN . 1.7 ttpm? -91.41 108.12 19.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.478 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 p30 52.7 18.78 1.08 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.829 0.851 . . . . 0.0 112.75 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.84 -8.94 27.66 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.661 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.3 t -101.85 134.94 40.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.6 118.54 20.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.479 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.603 ' HG3' ' HB2' ' A' ' 100' ' ' LYS . 6.2 mm100 -110.24 133.62 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.472 HD11 HG12 ' A' ' 28' ' ' VAL . 72.7 mt -117.44 134.81 54.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.693 0.282 . . . . 0.0 110.868 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -111.11 120.95 44.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.985 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.504 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.09 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.549 ' O ' ' HA ' ' A' ' 107' ' ' ARG . 20.3 mp0 . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.5 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 95.5 m95 -84.82 85.76 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 169.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -71.56 108.99 5.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.207 -178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.07 121.02 14.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.641 174.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.8 mm -96.76 -70.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.088 -175.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -154.22 -161.92 1.32 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HE2' ' OD1' ' A' ' 11' ' ' ASP . 47.9 mtpt -104.28 164.15 11.93 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.667 -176.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -73.28 -10.05 13.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.844 0.831 . . . . 0.0 108.969 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.492 ' OD1' ' HE2' ' A' ' 9' ' ' LYS . 2.5 m-20 -74.18 -36.26 64.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.528 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.51 -4.26 55.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.112 0.482 . . . . 0.0 110.637 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.58 HD12 HG22 ' A' ' 104' ' ' VAL . 35.6 mt -105.49 91.71 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.307 0.575 . . . . 0.0 109.55 173.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.98 146.04 97.49 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.35 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 46.4 Cg_exo -57.1 129.82 36.38 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.524 2.149 . . . . 0.0 112.036 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 15' ' ' PRO . 92.3 mt-10 75.54 32.81 0.69 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.041 0.838 . . . . 0.0 110.74 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -133.37 154.82 50.42 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.494 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.83 144.38 18.16 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.44 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -120.01 150.01 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.117 0.484 . . . . 0.0 111.248 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -88.16 115.0 25.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.002 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.81 166.75 15.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.826 0.346 . . . . 0.0 110.573 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 27' ' ' GLN . 96.8 mt -131.06 122.3 26.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.485 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.31 91.98 8.97 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 171.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.58 -90.57 0.75 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 -169.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.21 -10.04 5.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.67 0.271 . . . . 0.0 110.4 172.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -76.71 126.2 30.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 110.543 -176.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.694 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . 23.3 mp0 -69.13 116.48 9.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.249 -176.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.447 HG12 HD12 ' A' ' 106' ' ' LEU . 59.6 t -118.97 130.86 73.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.089 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -99.37 111.68 24.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.214 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.488 HD12 HD11 ' A' ' 106' ' ' LEU . 60.3 mt -95.31 109.7 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.001 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 98.6 m-85 -104.25 125.6 50.65 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -108.45 99.77 34.57 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 168.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.499 ' HB2' HD11 ' A' ' 66' ' ' LEU . 72.8 Cg_endo -92.89 -24.0 0.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.538 2.159 . . . . 0.0 112.689 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -99.35 159.87 14.69 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.051 0.453 . . . . 0.0 110.544 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -90.28 3.43 53.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.953 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -95.09 -173.84 3.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.949 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -86.15 69.81 10.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.624 0.25 . . . . 0.0 110.68 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -148.0 135.95 21.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.713 0.292 . . . . 0.0 110.585 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.0 m -138.13 153.68 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.344 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -120.58 129.88 53.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.873 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.55 119.62 35.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.16 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 93' ' ' LYS . 39.4 pt -130.78 -178.77 2.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.264 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 m -62.4 130.06 43.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.694 ' HB3' ' HB3' ' A' ' 27' ' ' GLN . 63.4 t30 -83.85 -18.7 36.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 111.142 -175.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.3 mm -116.24 140.89 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -68.8 122.51 85.2 Favored Pre-proline 0 N--CA 1.469 0.494 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.27 -55.94 0.84 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.99 2.46 . . . . 0.0 114.367 -172.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -91.3 -37.63 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.798 0.332 . . . . 0.0 111.823 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -79.34 -22.98 43.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.775 0.321 . . . . 0.0 110.333 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' OE1' ' HA ' ' A' ' 50' ' ' GLU . 5.6 mm-40 62.53 72.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.783 0.801 . . . . 0.0 110.798 -178.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.6 t -102.49 -165.85 1.22 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 174.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -106.3 -154.76 0.53 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.33 124.56 24.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.896 0.855 . . . . 0.0 111.049 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.1 mt -84.38 -16.1 44.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.208 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 5.2 p -68.27 -13.64 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.045 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -98.5 40.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.671 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.63 164.81 24.63 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.107 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.725 ' H ' HD21 ' A' ' 58' ' ' LEU . 1.9 pt? -86.76 137.09 32.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.962 0.41 . . . . 0.0 111.042 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.2 mt -97.83 119.44 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.887 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.33 141.16 43.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.912 0.387 . . . . 0.0 110.694 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' HG2' ' H ' ' A' ' 63' ' ' GLN . 42.0 tt0 -87.63 118.25 26.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.896 177.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -94.62 36.24 1.18 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.456 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 22.6 tp60 64.54 83.29 0.17 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.659 -177.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.36 -65.73 0.26 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.759 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -90.94 145.73 24.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.897 0.38 . . . . 0.0 110.495 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 33' ' ' PRO . 78.5 mt -106.66 125.2 50.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.658 -177.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -116.68 131.65 56.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.941 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.61 133.36 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -115.44 130.85 57.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.682 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.517 ' HB3' ' O ' ' A' ' 73' ' ' LYS . 33.3 t -82.32 137.07 45.68 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.119 179.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.428 ' HD2' HD13 ' A' ' 72' ' ' LEU . 5.3 Cg_exo -76.46 -19.22 15.1 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.922 2.415 . . . . 0.0 112.07 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.428 HD13 ' HD2' ' A' ' 71' ' ' PRO . 5.3 mp -78.62 -64.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 70' ' ' SER . 57.0 tptt -114.08 144.56 42.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 174.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -76.03 61.25 1.51 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.905 0.859 . . . . 0.0 110.995 -174.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.502 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -92.29 145.79 24.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.065 178.404 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.55 121.85 23.9 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 75' ' ' GLN . 33.5 m-85 -119.0 134.78 54.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 -177.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -84.66 113.88 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.5 -25.38 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.05 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m -57.71 -48.69 78.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.095 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -125.53 -19.57 4.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.74 15.24 37.61 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.221 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.6 tp -72.98 134.63 44.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.771 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 59.1 m -88.68 138.94 30.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.8 ttt -58.24 -70.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -92.85 -19.25 21.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.471 0.653 . . . . 0.0 110.838 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 2.7 m-20 -94.12 10.62 33.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.373 -175.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -34.04 -39.93 0.08 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -59.34 -28.5 66.89 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 111.638 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -119.16 41.63 3.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.448 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.771 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 68.1 m -60.91 163.8 5.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.116 0.484 . . . . 0.0 111.711 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.6 m -90.9 172.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.398 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 88.2 tttt -93.2 135.23 34.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 -176.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -95.34 119.38 33.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.055 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -95.37 146.53 24.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 17.6 mm-40 -80.71 107.26 13.37 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -177.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.04 142.82 46.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.578 -173.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.5 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 9.9 ptm180 -150.63 162.03 41.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.03 175.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.14 115.69 38.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -114.94 113.33 24.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.383 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 64.76 12.59 7.78 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.412 0.445 . . . . 0.0 110.887 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.72 5.49 57.62 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.047 -174.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.8 t -112.22 135.21 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.58 HG22 HD12 ' A' ' 13' ' ' ILE . 24.9 t -78.02 120.64 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.787 0.327 . . . . 0.0 111.201 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -108.7 133.4 52.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.182 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.488 HD11 HD12 ' A' ' 30' ' ' ILE . 68.3 mt -117.02 113.92 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.955 0.159 . . . . 0.0 110.83 176.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.549 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 36.7 ttp85 -96.69 109.47 22.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.963 0.411 . . . . 0.0 109.978 174.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.663 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.072 178.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.442 0.639 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.449 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 67.3 m95 -63.85 109.95 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.674 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 78.6 tttt -82.2 128.15 33.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.81 120.87 23.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.331 0.586 . . . . 0.0 109.481 175.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -86.13 -67.33 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.077 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 t -157.95 171.31 20.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.545 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -76.79 143.58 39.74 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.465 HD12 HG23 ' A' ' 99' ' ' VAL . 14.2 tt -69.7 -7.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.36 0.6 . . . . 0.0 110.511 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.72 -19.81 61.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.607 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.12 -18.2 32.95 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.319 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mt -109.56 106.46 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.356 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.58 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 92.7 mt -73.39 167.86 30.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.565 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.58 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 48.2 Cg_endo -68.85 147.92 69.75 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 121.887 1.725 . . . . 0.0 111.717 175.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 63.45 30.62 15.3 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.952 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.5 p -132.4 163.96 27.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -136.62 143.46 14.84 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.017 178.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.23 177.69 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.006 0.431 . . . . 0.0 111.166 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.89 134.86 55.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.189 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.11 174.03 11.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.059 0.456 . . . . 0.0 111.164 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.51 125.99 42.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.488 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD13 ' HB2' ' A' ' 106' ' ' LEU . 8.8 tt -120.24 103.4 9.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.2 -105.53 1.52 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.777 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.59 -12.23 13.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -93.74 132.89 37.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.587 -174.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.434 ' HB3' HD22 ' A' ' 44' ' ' ASN . 51.1 mt-30 -81.18 140.45 34.96 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.458 HG12 HD12 ' A' ' 106' ' ' LEU . 42.6 t -133.04 148.49 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 111.182 -174.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . . . -112.18 123.05 49.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.402 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.475 HD12 HD11 ' A' ' 106' ' ' LEU . 62.4 mt -106.59 119.88 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.114 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.438 ' CD1' ' HA3' ' A' ' 18' ' ' GLY . 97.6 m-85 -115.64 133.86 55.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.72 0.295 . . . . 0.0 110.808 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -108.76 99.79 36.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HB2' HD13 ' A' ' 66' ' ' LEU . 67.5 Cg_endo -98.24 7.15 1.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.348 2.699 . . . . 0.0 113.109 -177.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -123.98 164.14 19.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.965 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -84.67 -17.94 36.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 p -77.43 -165.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.469 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.54 30.98 3.01 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.086 0.47 . . . . 0.0 110.238 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -96.45 118.31 32.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.56 157.45 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.21 177.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -133.4 149.99 51.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -127.93 131.14 49.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.104 0.478 . . . . 0.0 111.584 -176.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.9 pt -130.76 179.16 4.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.851 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.9 m -69.35 118.12 11.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.676 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 31.8 p-10 -76.72 -30.69 56.76 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.7 mm -101.29 108.39 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.575 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -74.61 142.9 78.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.453 -175.077 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -96.24 1.12 2.07 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.786 2.324 . . . . 0.0 114.088 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -91.49 -59.44 2.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.276 0.56 . . . . 0.0 110.131 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -94.3 -28.61 15.48 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.575 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 43.4 mt-10 68.34 69.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.036 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.8 p -105.59 -165.63 1.13 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.179 173.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 p -92.59 -153.63 0.35 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.812 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.474 HG11 ' ND2' ' A' ' 44' ' ' ASN . 35.9 m -68.18 124.59 24.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.905 0.86 . . . . 0.0 112.002 -171.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 40.0 mt -75.88 -1.49 25.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.092 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -65.35 -15.24 62.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.15 0.5 . . . . 0.0 111.081 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -90.92 41.03 1.04 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.417 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.42 159.38 23.82 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.966 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.3 134.72 37.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.854 0.359 . . . . 0.0 111.277 -170.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -82.95 122.35 37.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.529 174.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.14 142.37 50.23 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.827 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -84.08 120.02 25.65 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -131.23 115.12 15.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.852 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 62.28 28.72 17.12 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.531 0.681 . . . . 0.0 110.828 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.88 -0.24 79.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.632 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -109.1 156.04 20.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.766 0.317 . . . . 0.0 110.2 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' A' ' 33' ' ' PRO . 79.4 mt -97.69 104.26 16.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.978 0.418 . . . . 0.0 110.06 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -107.36 149.94 27.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.232 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -109.03 127.81 65.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -110.5 109.32 19.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.817 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.545 ' HB3' HD11 ' A' ' 72' ' ' LEU . 14.2 m -86.51 115.38 61.99 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.77 3.56 2.71 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.125 2.55 . . . . 0.0 112.986 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 70' ' ' SER . 7.3 mp -61.34 -57.73 11.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.862 176.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 25.0 mmtp -141.91 28.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 64.18 32.44 12.54 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.999 174.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -86.25 133.03 33.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.976 0.417 . . . . 0.0 110.241 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.627 ' HD2' ' SD ' ' A' ' 85' ' ' MET . 34.8 mtt85 -118.89 129.59 55.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.348 -174.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.407 ' CE1' HD13 ' A' ' 54' ' ' LEU . 31.6 m-85 -126.33 136.97 53.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.426 -176.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -83.59 113.91 21.16 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.5 mt -58.54 -29.31 66.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 t -60.52 -58.0 10.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.654 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -114.52 -12.95 12.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.01 15.11 58.24 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.073 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.1 tp -67.97 131.66 45.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.706 0.288 . . . . 0.0 110.521 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.794 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 77.0 m -84.51 138.43 32.78 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.627 ' SD ' ' HD2' ' A' ' 76' ' ' ARG . 25.2 ttt -59.62 -56.41 22.31 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -176.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -92.53 -20.03 21.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.499 0.666 . . . . 0.0 110.867 -175.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 84' ' ' CYS . 38.6 m-20 -106.79 10.5 30.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.204 -171.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -34.39 -38.65 0.07 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.436 ' HG3' ' CD2' ' A' ' 90' ' ' PHE . 22.3 pt20 -60.58 -27.63 67.85 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.436 ' CD2' ' HG3' ' A' ' 89' ' ' GLN . 92.3 m-85 -106.98 -61.76 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.217 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.794 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 65.6 m 63.59 -172.37 0.17 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.464 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.0 m -109.67 176.4 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.358 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -88.96 112.75 23.71 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.13 134.31 34.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.204 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.55 144.18 34.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.431 ' HB3' ' HB3' ' A' ' 107' ' ' ARG . 23.1 tt0 -82.67 125.41 31.19 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -175.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.75 139.8 46.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.86 0.362 . . . . 0.0 111.311 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.402 ' NH2' ' HD2' ' A' ' 100' ' ' LYS . 12.0 ttp180 -144.57 137.15 26.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.148 178.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.465 HG23 HD12 ' A' ' 10' ' ' ILE . 95.7 t -97.97 104.76 16.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.452 0.644 . . . . 0.0 110.262 177.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.402 ' HD2' ' NH2' ' A' ' 98' ' ' ARG . 75.4 tttt -96.64 106.89 19.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.809 -177.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.7 t70 60.59 20.26 10.14 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.754 0.788 . . . . 0.0 110.427 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.01 2.73 51.89 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.648 -178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.9 t -108.33 128.88 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.113 0.457 . . . . 0.0 110.095 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.18 116.89 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.492 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.449 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 15.3 mt-30 -113.93 146.38 40.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.475 HD11 HD12 ' A' ' 30' ' ' ILE . 82.2 mt -122.69 135.08 54.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.631 179.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 107' ' ' ARG . 17.3 ttp85 -107.26 116.81 32.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.313 176.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.69 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.364 176.783 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.947 0.403 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -91.75 119.25 31.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.196 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -97.22 119.65 36.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.692 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.436 ' CG ' HE21 ' A' ' 105' ' ' GLN . 7.1 m-20 -69.21 103.32 1.9 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.755 174.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -74.48 -77.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.549 0.69 . . . . 0.0 110.681 -177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.9 m -151.84 177.38 10.48 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -80.09 147.18 31.53 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.272 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.479 HD13 HG23 ' A' ' 99' ' ' VAL . 19.5 tt -67.12 -13.76 17.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.62 0.724 . . . . 0.0 109.928 178.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.04 -18.05 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.724 174.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -86.68 -7.68 58.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.434 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.4 mt -114.17 134.85 55.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.295 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.9 mt -97.78 169.11 8.96 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.583 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.58 130.13 35.75 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.301 2.001 . . . . 0.0 112.363 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 57.17 53.01 8.23 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.743 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.9 p -135.92 174.98 10.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.709 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 55' ' ' SER . . . -141.12 137.19 7.99 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -118.64 177.83 2.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.661 0.267 . . . . 0.0 110.821 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.2 p -121.66 127.34 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.725 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.65 170.53 10.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.493 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 mt -112.11 121.33 44.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.866 0.365 . . . . 0.0 110.584 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 tt -124.18 111.68 16.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.05 -96.19 0.77 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.595 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -129.6 -5.82 4.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.464 ' CD ' ' HH ' ' A' ' 95' ' ' TYR . 12.3 pt-20 -114.72 164.77 13.59 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.922 -175.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -86.84 134.35 33.55 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.999 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.8 t -118.23 131.67 70.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.594 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.37 118.77 29.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.246 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.49 HD11 HD11 ' A' ' 106' ' ' LEU . 62.5 mt -104.38 108.87 25.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.615 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -101.87 132.32 47.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.987 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -111.0 99.96 44.89 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.52 ' HB2' HD13 ' A' ' 66' ' ' LEU . 87.2 Cg_endo -95.36 1.69 2.45 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.714 2.942 . . . . 0.0 113.243 -177.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.27 159.66 23.68 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.995 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.22 -12.66 59.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 173.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.437 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 10.0 p -92.24 -154.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.026 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' H ' ' HB2' ' A' ' 36' ' ' SER . 6.1 m-20 -84.15 -24.24 30.28 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -57.5 122.95 13.88 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -172.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.17 162.41 33.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.333 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -134.32 152.93 52.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.224 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.36 129.02 36.87 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.226 0.536 . . . . 0.0 111.837 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 pt -132.21 171.03 18.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' A' ' 93' ' ' LYS . 5.9 t -62.08 132.99 54.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.494 HD22 HG13 ' A' ' 53' ' ' VAL . 66.9 t30 -83.31 -12.89 56.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.04 0.448 . . . . 0.0 110.869 -173.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' SER . 31.8 mm -103.31 113.0 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 -177.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.513 ' HB2' HD23 ' A' ' 54' ' ' LEU . 10.8 t70 -72.31 124.96 91.51 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 173.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.48 -32.36 4.92 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.422 2.081 . . . . 0.0 113.932 -174.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -91.53 -44.04 9.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.878 0.37 . . . . 0.0 111.551 -173.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -89.54 -21.57 22.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.691 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 41.0 tt0 61.81 90.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.745 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 32.7 t -131.89 135.33 46.58 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.063 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -71.16 -33.87 70.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.856 0.36 . . . . 0.0 110.555 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.494 HG13 HD22 ' A' ' 44' ' ' ASN . 11.3 m -128.79 124.41 61.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.797 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 46' ' ' ASP . 87.4 mt -92.51 -1.72 56.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.66 0.743 . . . . 0.0 109.196 168.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.524 ' HB3' ' O ' ' A' ' 18' ' ' GLY . 1.4 m -69.06 -3.64 13.95 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.852 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -90.74 40.79 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.448 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.57 162.57 24.65 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.888 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.628 ' H ' HD22 ' A' ' 58' ' ' LEU . 2.0 pt? -102.97 155.21 18.52 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 33' ' ' PRO . 63.4 mt -109.68 122.52 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.919 0.39 . . . . 0.0 110.704 -175.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.77 154.35 20.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.689 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.22 137.73 51.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.529 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -130.52 79.66 1.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.097 173.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.661 ' N ' HE21 ' A' ' 63' ' ' GLN . 0.0 OUTLIER 65.51 28.51 11.45 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.286 172.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.59 -19.28 9.81 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.583 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.518 ' OE2' ' HD2' ' A' ' 78' ' ' ARG . 8.2 tp10 -92.65 138.61 31.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 33' ' ' PRO . 88.6 mt -114.9 123.89 50.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.2 0.524 . . . . 0.0 111.238 -173.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -120.81 129.57 53.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.282 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 8.6 p -96.49 125.25 49.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -111.69 113.79 26.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.605 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.7 m -93.73 110.84 49.85 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.257 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.07 -10.31 17.48 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.363 2.708 . . . . 0.0 112.946 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.8 mp -59.83 -34.23 72.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 21.6 tttm -147.27 10.23 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 12.8 ttpp 63.39 36.83 11.21 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.246 1.022 . . . . 0.0 108.463 -173.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -80.06 123.67 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.844 -174.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.633 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 74.4 mtt180 -114.75 114.38 25.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.544 -175.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 84' ' ' CYS . 88.9 m-85 -116.68 131.52 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.799 176.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.518 ' HD2' ' OE2' ' A' ' 65' ' ' GLU . 20.1 ttp85 -80.97 116.06 20.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.3 -17.66 64.33 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -171.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -60.61 -23.98 65.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.84 -69.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.163 0.506 . . . . 0.0 110.208 174.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.58 33.88 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.9 tp -85.45 110.94 19.52 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.535 -0.333 . . . . 0.0 110.537 -176.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 76' ' ' ARG . 49.0 t -84.98 134.22 34.24 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 82.6 mtp -62.91 -25.54 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.945 0.402 . . . . 0.0 111.189 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -93.1 -41.58 9.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.336 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.522 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 37.8 t70 -92.04 10.6 28.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.898 0.38 . . . . 0.0 111.13 -176.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -53.05 -6.82 0.06 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -61.36 -38.05 85.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 122.416 0.286 . . . . 0.0 110.379 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -140.33 -33.29 0.57 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.0 m 72.55 178.91 0.23 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.62 0.575 . . . . 0.0 111.479 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.6 m -101.41 -175.68 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.248 0.547 . . . . 0.0 112.3 -174.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 15.9 tptm -77.92 123.16 26.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.545 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -101.76 139.25 37.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.689 0.28 . . . . 0.0 110.714 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.464 ' HH ' ' CD ' ' A' ' 26' ' ' GLU . 94.7 m-85 -122.61 152.63 40.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.817 176.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.557 ' HG3' ' NH2' ' A' ' 107' ' ' ARG . 30.9 mm-40 -84.06 131.95 34.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.42 135.18 47.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 -177.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -145.67 158.79 43.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.479 HG23 HD13 ' A' ' 10' ' ' ILE . 40.6 t -110.81 102.67 14.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.21 0.529 . . . . 0.0 110.403 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.518 ' HD3' ' NE2' ' A' ' 105' ' ' GLN . 1.9 ttpm? -86.56 105.63 16.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.074 -178.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 48.94 29.28 2.29 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.196 0.935 . . . . 0.0 112.464 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.88 -11.78 34.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.748 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.3 t -100.15 124.4 53.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.36 123.41 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.518 ' NE2' ' HD3' ' A' ' 100' ' ' LYS . 78.7 mt-30 -117.22 138.74 51.5 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.722 0.296 . . . . 0.0 110.642 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.49 HD11 HD11 ' A' ' 30' ' ' ILE . 76.3 mt -118.85 142.63 47.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.322 177.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.557 ' NH2' ' HG3' ' A' ' 96' ' ' GLU . 17.6 ttp180 -123.65 111.24 15.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.945 174.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.622 178.795 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tmm? . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.754 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 10.2 m -142.98 121.86 12.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.635 -176.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -107.96 88.13 2.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.541 0.686 . . . . 0.0 110.484 178.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -74.33 92.4 2.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.982 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -83.03 128.07 34.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.708 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.32 127.02 31.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.571 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 mm -99.87 -67.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.061 0.458 . . . . 0.0 110.047 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.6 p -166.78 174.08 8.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.769 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 60.8 mttp -78.61 143.73 36.13 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.101 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.409 HD13 HG23 ' A' ' 99' ' ' VAL . 17.3 tt -63.38 -13.4 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.515 -174.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.21 -29.14 69.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.37 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -71.84 -30.36 65.38 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.638 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.1 mt -90.42 107.89 18.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.094 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.29 158.79 44.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.106 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.23 134.02 43.2 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.122 2.548 . . . . 0.0 112.292 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.75 ' HA ' ' O ' ' A' ' 32' ' ' ARG . 1.8 pm0 36.99 68.99 0.23 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.248 0.968 . . . . 0.0 112.774 -172.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -140.15 157.9 44.89 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.609 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.5 140.81 12.51 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.233 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.51 157.73 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.542 0.21 . . . . 0.0 110.586 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -98.8 131.09 45.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 0.0 110.814 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.84 175.48 6.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.84 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.7 mt -125.01 117.51 24.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.817 0.341 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.1 tp -108.2 86.35 2.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 172.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.57 -103.19 1.39 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.118 -172.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -114.59 4.28 15.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.151 0.501 . . . . 0.0 110.174 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -90.6 117.64 29.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.665 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -79.94 103.97 10.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t -98.95 135.44 33.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.507 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 44' ' ' ASN . . . -96.9 110.14 22.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.974 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.458 HD11 HD12 ' A' ' 106' ' ' LEU . 58.1 mt -92.0 108.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.741 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.456 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 88.3 m-85 -105.39 118.59 36.96 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.61 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.75 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 75.8 ttt180 -97.61 100.04 7.58 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 168.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 68.0 Cg_endo -90.47 7.05 3.84 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.83 2.354 . . . . 0.0 113.439 -171.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.468 ' CZ ' HD13 ' A' ' 66' ' ' LEU . 66.6 m-85 -140.64 -168.81 2.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.262 0.553 . . . . 0.0 110.675 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -100.89 -15.98 17.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.57 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m -83.38 -164.82 0.95 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.026 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -84.5 9.71 12.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.588 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.539 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 73.1 mt-30 -82.32 111.99 18.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.613 -177.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 m -132.39 150.32 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.185 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -132.22 153.31 50.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.204 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.13 125.92 30.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 111.474 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.1 pt -131.48 -177.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.721 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 93' ' ' LYS . 22.0 t -65.97 132.5 48.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.476 HD22 HG11 ' A' ' 53' ' ' VAL . 13.7 t30 -81.88 -11.69 58.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 0.0 110.561 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.1 mt -123.77 134.29 66.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.598 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -93.55 148.44 35.48 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.49 -10.05 3.29 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.451 2.1 . . . . 0.0 114.346 -173.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -91.42 -56.21 3.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.005 0.431 . . . . 0.0 111.1 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 40.6 t80 -101.18 -27.6 13.13 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.374 -174.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 70.89 81.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.763 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.1 m -101.96 113.89 27.52 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 167.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -57.76 -36.45 72.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.931 -171.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.476 HG11 HD22 ' A' ' 44' ' ' ASN . 6.9 m -129.11 124.1 59.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.86 173.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.46 HD11 ' O ' ' A' ' 43' ' ' SER . 79.2 mt -91.93 -10.87 37.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.373 0.606 . . . . 0.0 109.514 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 m -74.86 1.8 11.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.662 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -103.97 40.56 1.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.89 164.65 24.72 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.0 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.92 140.45 37.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.898 0.38 . . . . 0.0 110.625 -175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -86.63 126.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.159 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.48 146.52 38.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.507 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -85.2 152.83 23.05 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.45 0.643 . . . . 0.0 112.082 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -163.98 129.72 3.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.2 165.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 72.97 7.02 5.41 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.88 0.737 . . . . 0.0 111.165 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.52 9.93 64.17 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.236 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -114.42 159.31 20.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 33' ' ' PRO . 39.3 mt -99.39 119.13 37.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.893 0.378 . . . . 0.0 110.54 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -117.59 134.18 55.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.817 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.7 p -96.43 119.98 45.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.59 122.54 43.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.748 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.447 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 15.9 m -86.17 115.41 61.84 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.083 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 21.0 Cg_exo -65.9 -6.95 15.38 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.488 2.792 . . . . 0.0 112.905 -175.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.98 -38.68 89.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.859 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.585 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -144.96 -113.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.93 176.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -140.71 25.14 2.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.718 0.294 . . . . 0.0 110.82 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -68.96 126.38 29.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.642 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -124.54 118.29 26.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.103 0.478 . . . . 0.0 110.55 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' A' ' 84' ' ' CYS . 63.1 m-85 -107.36 120.69 42.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.542 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.404 ' HD3' ' HB3' ' A' ' 83' ' ' LEU . 70.1 ttt180 -71.75 117.69 13.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.182 176.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.96 -17.06 59.88 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -171.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.85 -39.21 68.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.943 0.401 . . . . 0.0 111.485 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -144.15 -57.88 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.52 37.96 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 119.963 -1.113 . . . . 0.0 112.61 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.404 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 22.7 tp -88.91 99.42 12.39 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.881 0.372 . . . . 0.0 110.467 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 38.4 t -77.86 124.84 28.49 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 170.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -64.65 -15.69 61.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.196 0.522 . . . . 0.0 111.23 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -92.56 -29.62 16.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.519 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 21.4 t70 -107.04 10.42 30.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.047 -172.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.447 ' OE2' ' HG2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -49.97 -15.23 0.18 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -172.283 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG2' ' OE2' ' A' ' 88' ' ' GLU . 84.4 mm-40 -67.84 -38.99 83.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -110.12 -47.65 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.458 -174.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 m 76.83 144.36 0.08 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.774 0.83 . . . . 0.0 110.534 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.4 m -90.9 169.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.462 0.649 . . . . 0.0 112.429 -170.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 20.0 tptm -63.46 129.33 39.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.829 -178.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -118.44 133.99 55.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -118.5 154.28 32.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -91.23 134.33 34.65 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.761 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.59 130.11 49.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.891 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -131.6 151.73 51.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.207 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.409 HG23 HD13 ' A' ' 10' ' ' ILE . 61.3 t -99.6 97.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.035 175.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -101.74 113.89 27.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.363 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 61.18 24.82 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.218 0.532 . . . . 0.0 110.231 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.86 9.13 78.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.501 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 40.0 t -112.49 130.6 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.93 0.365 . . . . 0.0 110.245 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.9 t -76.99 121.12 28.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.23 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -118.98 142.99 47.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.508 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.458 HD12 HD11 ' A' ' 30' ' ' ILE . 82.9 mt -114.59 138.94 50.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.573 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.754 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 19.6 ttp85 -120.54 132.35 55.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -139.44 -147.15 5.03 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 52.3 50.99 44.56 Favored Glycine 0 C--O 1.228 -0.239 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.373 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.213 -176.761 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.72 0.295 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.606 ' O ' ' HG3' ' A' ' 107' ' ' ARG . 12.5 p -120.11 -65.52 1.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.789 0.328 . . . . 0.0 110.119 176.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 60.31 38.01 19.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.508 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.551 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 96.5 m95 -56.08 115.52 2.47 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.794 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -112.25 122.56 48.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.595 178.793 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' HB2' HG11 ' A' ' 103' ' ' VAL . 5.6 p-10 -72.65 127.47 32.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.467 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.1 mm -102.16 -73.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.338 0.589 . . . . 0.0 110.771 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 80.9 m -143.35 177.7 8.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.021 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 35.6 mtmm -84.28 155.07 22.6 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.944 0.402 . . . . 0.0 110.743 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 HD13 ' HD2' ' A' ' 32' ' ' ARG . 9.9 tp -68.8 -20.17 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.594 0.712 . . . . 0.0 110.008 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.27 -14.62 63.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.72 -33.06 20.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.156 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -94.71 115.11 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.474 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.9 164.65 51.94 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.321 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.57 135.63 71.47 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.533 2.156 . . . . 0.0 112.54 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 62.17 37.4 14.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.045 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -124.1 142.95 50.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.612 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.77 137.13 12.58 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.88 161.3 20.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.845 0.355 . . . . 0.0 110.983 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.2 m -101.13 119.97 39.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.534 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.55 172.2 9.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.541 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.0 mt -125.82 135.12 51.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.644 0.259 . . . . 0.0 110.573 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.0 tp -131.12 113.88 14.44 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.75 -100.68 0.57 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.28 -174.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.68 -4.69 7.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.294 0.109 . . . . 0.0 111.294 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -102.83 149.45 24.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.986 0.422 . . . . 0.0 110.807 -173.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -85.19 125.2 32.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.748 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.7 t -115.04 131.31 67.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.825 0.345 . . . . 0.0 110.412 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.417 ' N ' ' HB2' ' A' ' 44' ' ' ASN . . . -97.68 118.88 35.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.844 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.4 mt -103.79 112.44 37.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.419 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 97.9 m-85 -106.86 129.09 54.75 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.514 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' HD2' HD13 ' A' ' 10' ' ' ILE . 76.2 ttt180 -107.96 100.08 34.12 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 172.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.511 ' HB2' HD11 ' A' ' 66' ' ' LEU . 7.0 Cg_endo -86.63 -31.04 0.3 Allowed 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.291 2.661 . . . . 0.0 112.711 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -90.63 163.38 14.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 0.0 110.685 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -88.58 -5.22 58.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.241 176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.8 p -91.3 -158.12 0.54 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.227 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' HB2' ' HB ' ' A' ' 99' ' ' VAL . 8.6 p-10 -91.42 6.18 46.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.934 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -78.67 110.89 14.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.185 0.517 . . . . 0.0 111.209 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.4 158.23 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.373 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -132.81 146.93 52.24 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.71 136.78 47.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 0.0 111.361 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.6 pt -136.44 177.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.085 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 93' ' ' LYS . 14.3 p -65.18 124.07 21.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' HB2' ' N ' ' A' ' 29' ' ' ALA . 65.3 t30 -85.67 3.38 41.25 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -174.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.4 mm -127.45 117.67 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -81.34 120.65 78.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 121.178 0.513 . . . . 0.0 110.045 174.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 14.4 Cg_endo -91.96 -6.59 3.41 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.331 2.687 . . . . 0.0 113.479 -177.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -91.48 -54.21 4.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.962 0.411 . . . . 0.0 110.595 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 73' ' ' LYS . 90.9 t80 -92.07 -16.54 26.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 52.5 mt-10 65.97 50.72 1.44 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.568 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -102.4 129.34 48.85 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 169.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.2 m -76.44 -107.72 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.06 124.46 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.496 0.665 . . . . 0.0 112.465 -170.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.0 mt -89.65 -3.36 58.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.061 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -62.35 -21.6 65.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.924 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -88.18 40.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.395 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.444 ' HA2' ' HD2' ' A' ' 71' ' ' PRO . . . -134.37 162.83 24.63 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.879 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.52 141.27 32.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.911 0.386 . . . . 0.0 110.927 -174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 33' ' ' PRO . 59.4 mt -99.11 125.13 52.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.205 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.0 163.72 28.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 0.0 111.113 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.02 119.18 38.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -90.39 -70.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.647 0.26 . . . . 0.0 110.625 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.56 83.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.068 0.461 . . . . 0.0 110.221 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.93 80.82 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.755 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -148.68 149.12 30.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.242 0.544 . . . . 0.0 111.0 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 33' ' ' PRO . 20.4 mt -97.33 122.69 40.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.758 -175.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.438 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 45.2 m95 -120.71 136.18 54.93 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.803 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' A' ' 77' ' ' PHE . 7.0 p -102.08 113.96 40.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.452 0.644 . . . . 0.0 109.916 176.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.04 114.27 26.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.187 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.0 m -86.8 115.01 60.93 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.229 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.444 ' HD2' ' HA2' ' A' ' 57' ' ' GLY . 43.6 Cg_endo -67.86 0.01 4.86 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.049 2.499 . . . . 0.0 112.033 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' O ' ' HE3' ' A' ' 73' ' ' LYS . 70.2 mt -58.97 -37.6 77.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.907 174.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.683 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -151.41 -103.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.869 174.746 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' H ' ' HB3' ' A' ' 73' ' ' LYS . 54.2 mtmt -145.16 27.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.419 0.628 . . . . 0.0 109.855 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.48 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 7.3 mp0 -83.1 112.57 19.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.484 -177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.599 ' HD3' ' HB3' ' A' ' 85' ' ' MET . 0.0 OUTLIER -106.78 112.26 25.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 75' ' ' GLN . 93.5 m-85 -100.8 134.73 43.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.369 0.604 . . . . 0.0 111.306 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.893 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 67.6 ttt180 -82.98 111.61 18.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.39 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -27.68 61.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.947 0.403 . . . . 0.0 111.195 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p -79.98 -9.2 59.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.233 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.893 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 8.4 t70 -149.94 -62.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -175.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.41 -17.95 3.29 Favored Glycine 0 C--N 1.323 -0.182 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.348 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.45 HD12 ' OG ' ' A' ' 91' ' ' SER . 14.3 tp -52.92 125.41 16.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.436 -0.382 . . . . 0.0 111.289 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.23 134.18 34.15 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.599 ' HB3' ' HD3' ' A' ' 76' ' ' ARG . 15.2 ttt -64.58 -32.62 74.35 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.3 -175.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.42 -48.83 6.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.534 0.683 . . . . 0.0 110.494 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -88.42 10.74 19.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.741 -173.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.74 -32.36 0.06 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -60.92 -28.33 68.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.138 0.494 . . . . 0.0 110.575 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -105.71 -65.41 1.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.444 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.45 ' OG ' HD12 ' A' ' 83' ' ' LEU . 62.6 m 69.47 149.47 0.08 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.028 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.462 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 17.3 m -92.96 -169.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.957 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 85.0 tttt -95.29 139.7 31.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.68 -173.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -120.69 135.32 55.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.961 0.41 . . . . 0.0 110.824 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -112.91 160.88 17.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.814 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.88 124.68 45.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 174.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.74 147.08 45.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.984 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.551 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 9.2 ptm85 -148.5 162.79 38.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.344 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 37' ' ' ASP . 98.2 t -104.79 113.74 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.962 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -124.07 125.01 43.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.989 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 63.85 17.99 10.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.392 0.615 . . . . 0.0 109.6 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.8 16.53 67.76 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.727 -174.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 65.6 t -121.97 134.89 63.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.767 0.317 . . . . 0.0 110.634 -175.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.33 122.51 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 79.0 mt-30 -117.59 144.04 45.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.094 177.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.5 mt -113.47 136.36 52.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.606 ' HG3' ' O ' ' A' ' 2' ' ' SER . 37.1 ttp180 -120.33 119.97 34.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.905 173.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -161.83 -142.76 3.48 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.133 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.92 -171.53 33.13 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.847 -0.597 . . . . 0.0 110.76 179.813 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.577 0.227 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.532 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 4.7 p -136.84 107.18 6.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.141 0.496 . . . . 0.0 111.644 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -105.65 91.35 3.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.714 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.404 ' NE1' ' HD3' ' A' ' 107' ' ' ARG . 85.1 m95 -87.1 99.2 11.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.33 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -79.78 129.65 34.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.204 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.439 ' HB2' HG13 ' A' ' 103' ' ' VAL . 7.8 p-10 -80.64 126.73 31.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.189 0.519 . . . . 0.0 109.705 174.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -93.01 -69.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.163 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -154.53 167.23 30.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.394 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -67.15 150.99 48.38 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 tp -58.98 -21.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 111.074 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.16 -19.7 63.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.461 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.94 -27.56 60.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.63 HD13 HG22 ' A' ' 104' ' ' VAL . 20.4 mt -111.65 100.41 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.011 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.17 162.47 69.13 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.241 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.53 147.64 90.71 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.248 1.965 . . . . 0.0 111.761 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 63.44 25.76 14.64 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 123.594 0.559 . . . . 0.0 110.699 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.4 m -122.96 145.62 48.32 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.915 0.388 . . . . 0.0 111.751 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.38 131.09 7.98 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.156 -0.545 . . . . 0.0 111.884 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 m -118.94 175.83 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.836 0.351 . . . . 0.0 110.79 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 p -121.11 140.41 52.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.13 -177.31 5.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.498 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 23' ' ' LEU . 4.4 tt -130.56 127.9 40.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD23 ' CD2' ' A' ' 95' ' ' TYR . 57.5 tp -127.39 111.85 14.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.113 0.483 . . . . 0.0 110.322 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.94 -93.59 1.29 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.102 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -126.1 -25.95 3.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.739 0.304 . . . . 0.0 110.933 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.18 167.26 9.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.197 0.522 . . . . 0.0 111.385 -170.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -92.57 131.46 37.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.542 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -115.83 138.07 47.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.501 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -102.25 120.18 40.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.773 177.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.484 HD11 HD12 ' A' ' 106' ' ' LEU . 52.2 mt -106.14 114.88 46.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.16 -177.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.16 130.13 55.73 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.768 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -112.85 99.6 48.65 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.43 -40.68 0.32 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.029 2.486 . . . . 0.0 112.372 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -90.14 161.5 15.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.182 0.515 . . . . 0.0 111.553 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -78.06 -11.25 59.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.348 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.4 m -86.44 -166.63 1.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.772 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -92.24 30.29 1.49 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -97.03 110.77 23.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.788 0.327 . . . . 0.0 110.602 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 m -122.11 150.55 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.491 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.58 139.1 52.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.053 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.18 127.31 46.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.966 0.413 . . . . 0.0 111.489 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.28 -176.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.957 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.519 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 15.2 m -68.84 139.77 55.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.457 HD22 HG13 ' A' ' 53' ' ' VAL . 66.6 t30 -87.37 -1.53 57.98 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -172.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.0 mt -113.82 128.11 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.034 0.445 . . . . 0.0 111.873 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.716 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.6 OUTLIER -88.42 128.26 53.75 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.511 174.771 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -86.63 -7.96 7.33 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.873 2.382 . . . . 0.0 113.838 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 87' ' ' ASP . 75.8 m-85 -80.12 -60.8 2.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 0.0 111.466 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 73' ' ' LYS . 99.1 m-85 -112.59 10.65 19.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.965 0.412 . . . . 0.0 110.417 -175.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 61.37 73.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.066 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.716 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 15.3 m -102.42 116.39 32.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.525 -0.761 . . . . 0.0 108.994 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 p -71.45 -31.34 67.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.312 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.457 HG13 HD22 ' A' ' 44' ' ' ASN . 14.8 m -128.43 124.61 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.114 0.483 . . . . 0.0 111.082 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 46' ' ' ASP . 74.6 mt -90.77 -8.22 50.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.52 . . . . 0.0 109.683 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -64.56 -15.72 61.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.145 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -91.61 39.37 1.0 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.479 0.656 . . . . 0.0 110.008 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.426 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.81 158.74 23.64 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.832 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.679 ' H ' HD21 ' A' ' 58' ' ' LEU . 2.5 pt? -98.63 145.94 26.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.7 mt -92.96 109.67 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.322 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -119.08 122.21 41.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.554 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -73.88 130.28 39.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.021 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.642 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 36.9 m80 -135.07 117.07 15.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.601 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 62.93 21.8 13.08 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.842 0.714 . . . . 0.0 111.763 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.8 -16.43 56.08 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.705 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -100.34 149.43 23.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.682 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.7 mt -90.16 108.53 19.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.441 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.642 ' CD1' ' HB2' ' A' ' 62' ' ' HIS . 76.0 m95 -109.93 130.73 55.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.084 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -96.6 124.6 49.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -103.06 123.01 45.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.618 -176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.44 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 14.6 m -85.49 111.63 38.37 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.437 178.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 11.9 Cg_exo -71.89 -0.45 8.46 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.491 2.794 . . . . 0.0 112.75 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.43 -32.52 73.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 39.8 tptt -150.81 -75.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 172.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 73' ' ' LYS . 3.6 tppp? 169.98 71.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.167 0 O-C-N 124.117 0.886 . . . . 0.0 109.855 171.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.57 144.32 29.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -121.53 115.4 22.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.17 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -115.97 136.45 53.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.808 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 53.4 ttt180 -93.09 101.74 14.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.281 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.92 -37.57 87.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.835 -173.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 m -56.16 -35.14 66.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.649 -172.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -126.96 -23.93 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.894 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.742 ' HA3' ' HB2' ' A' ' 94' ' ' HIS . . . 105.14 -0.13 41.09 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.091 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.436 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 21.5 tp -70.34 150.35 46.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 52.8 t -105.87 146.0 30.5 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 170.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.407 ' HB3' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -66.95 -56.62 9.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.88 0.372 . . . . 0.0 110.741 -176.662 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.407 ' OE1' ' HB3' ' A' ' 85' ' ' MET . 2.1 mp0 -79.73 -31.01 41.05 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 3.8 t70 -95.02 10.78 34.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.616 0.246 . . . . 0.0 110.996 -175.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -40.38 -27.73 0.05 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -53.43 -45.94 69.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.207 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -124.35 -56.26 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.583 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.1 m 68.24 -173.35 0.19 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.996 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.519 ' HB ' ' HB2' ' A' ' 43' ' ' SER . 26.9 m -95.02 174.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.074 -176.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -89.6 118.95 29.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.742 ' HB2' ' HA3' ' A' ' 82' ' ' GLY . 53.9 t-80 -90.91 126.08 35.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.661 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.479 ' CD2' HD23 ' A' ' 23' ' ' LEU . 84.4 m-85 -96.48 166.42 11.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.66 0.267 . . . . 0.0 110.415 -178.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -90.9 115.82 28.24 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.57 150.61 47.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.817 0.341 . . . . 0.0 111.741 -174.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -165.82 170.91 13.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.422 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.6 t -104.69 110.88 32.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.991 0.424 . . . . 0.0 110.192 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.556 ' CB ' ' HG3' ' A' ' 105' ' ' GLN . 21.6 ttpp -106.45 116.23 31.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.078 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.447 ' OD2' ' HG2' ' A' ' 100' ' ' LYS . 15.7 m-20 63.95 17.65 10.7 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.424 0.452 . . . . 0.0 110.837 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.73 12.35 60.86 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.068 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' A' ' 6' ' ' ASP . 59.3 t -116.58 137.6 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.63 HG22 HD13 ' A' ' 13' ' ' ILE . 47.1 t -74.25 120.91 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.788 0.328 . . . . 0.0 110.351 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.556 ' HG3' ' CB ' ' A' ' 100' ' ' LYS . 4.7 mm100 -117.29 136.61 52.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.519 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 30' ' ' ILE . 77.4 mt -122.45 128.59 51.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.271 0.357 . . . . 0.0 110.596 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.532 ' HD2' ' HA ' ' A' ' 2' ' ' SER . 18.5 ttp180 -110.14 120.03 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.428 0.632 . . . . 0.0 110.445 173.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.58 -139.81 3.51 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.72 174.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.3 87.3 1.95 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.21 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.5 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.958 177.842 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.648 0.261 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -90.92 11.5 22.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.841 0.353 . . . . 0.0 111.579 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -64.39 114.09 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 88.6 m95 -52.29 109.03 0.34 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.204 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.47 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -78.33 112.0 14.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.101 -175.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.95 111.88 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 170.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.1 mm -88.75 -76.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.237 0.541 . . . . 0.0 110.392 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.9 m -150.47 173.24 14.29 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 94.6 mttt -79.54 142.82 35.4 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.838 0.352 . . . . 0.0 110.302 178.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.503 HD13 ' HD2' ' A' ' 32' ' ' ARG . 10.1 tp -71.76 -6.7 7.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.683 0.754 . . . . 0.0 109.936 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.84 -26.42 65.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.216 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.51 -44.88 16.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.359 0.6 . . . . 0.0 110.608 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.5 mt -77.25 106.0 6.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.501 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.64 165.22 47.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.69 145.25 98.63 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.282 1.988 . . . . 0.0 111.818 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.43 26.85 15.05 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.109 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -118.77 138.18 52.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.952 0.405 . . . . 0.0 111.421 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -118.82 136.69 12.26 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -121.74 166.61 16.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.647 0.261 . . . . 0.0 110.972 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.9 m -112.33 108.4 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.021 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.53 -179.38 3.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.409 HD21 ' N ' ' A' ' 23' ' ' LEU . 2.4 tt -123.05 126.82 47.83 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 22' ' ' LEU . 7.6 tt -124.22 100.86 6.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.27 -87.31 0.4 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.96 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -126.55 -23.78 3.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.96 0.41 . . . . 0.0 110.756 177.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -90.61 158.94 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -103.26 124.31 48.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.505 0.669 . . . . 0.0 110.356 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.5 t -109.71 135.81 47.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.694 -174.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -92.82 115.88 28.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.607 176.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.413 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 61.8 mt -102.73 119.8 51.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.793 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.42 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 99.4 m-85 -112.33 123.08 49.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.503 ' HD2' HD13 ' A' ' 10' ' ' ILE . 72.1 ttt180 -100.64 100.22 11.93 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 169.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HB2' HD12 ' A' ' 66' ' ' LEU . 72.7 Cg_endo -87.16 -31.19 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.831 2.354 . . . . 0.0 113.299 -175.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.89 175.04 5.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.801 0.334 . . . . 0.0 110.386 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -86.72 -19.35 29.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 t -82.16 -165.3 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.101 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.5 ' HB2' HG23 ' A' ' 99' ' ' VAL . 5.9 p-10 -92.16 17.32 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.08 0.467 . . . . 0.0 111.335 -176.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.413 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 6.9 tp60 -80.91 107.62 13.88 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.6 m -127.01 163.55 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 111.418 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -136.06 153.04 51.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.706 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.43 130.46 23.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.955 0.407 . . . . 0.0 111.304 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.524 HG21 ' HA ' ' A' ' 94' ' ' HIS . 6.4 pt -140.59 176.55 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.417 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.585 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 15.0 p -60.56 125.33 23.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.476 0.179 . . . . 0.0 111.085 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.466 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 54.1 t30 -68.91 -42.13 77.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.042 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 51' ' ' SER . 60.5 mt -88.72 113.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.91 0.386 . . . . 0.0 110.605 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.714 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER -69.88 120.06 75.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.362 173.042 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 84.1 Cg_endo -86.84 -7.39 7.33 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.996 2.464 . . . . 0.0 113.629 -173.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -91.47 -56.07 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.839 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -95.82 -9.06 32.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.079 0.466 . . . . 0.0 110.041 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 68.11 73.73 0.29 Allowed 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.948 -175.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.714 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 17.4 m -107.41 114.01 27.74 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -69.95 -29.54 66.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 t -125.14 123.83 66.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.853 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 44' ' ' ASN . 15.9 tp -92.34 -23.51 19.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -68.46 -9.17 47.0 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.028 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 17.2 ttm180 -90.03 40.9 1.02 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.418 0.628 . . . . 0.0 110.043 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.79 164.64 24.69 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.914 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 pp -107.95 151.53 25.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.856 0.36 . . . . 0.0 110.949 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.1 mt -94.77 115.01 32.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.17 143.46 45.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 168.24 18.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.071 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.595 ' HD2' ' HG2' ' A' ' 63' ' ' GLN . 56.8 t60 -139.71 -56.56 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.632 0.253 . . . . 0.0 110.376 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.595 ' HG2' ' HD2' ' A' ' 62' ' ' HIS . 4.1 pt20 -168.18 31.78 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.358 0.599 . . . . 0.0 110.005 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.23 30.74 2.4 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -138.72 151.41 47.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -174.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 33' ' ' PRO . 71.5 mt -111.59 101.95 10.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.258 0.551 . . . . 0.0 110.296 176.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.547 ' HB2' HH21 ' A' ' 76' ' ' ARG . 76.7 m95 -102.66 137.08 41.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.867 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.62 119.5 44.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.95 121.84 43.37 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.787 -176.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.443 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 45.5 t -82.52 109.86 18.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.757 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 14.4 Cg_exo -69.59 -8.01 22.48 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.209 2.606 . . . . 0.0 112.005 -177.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.91 -27.41 68.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.745 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -138.07 -92.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.371 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -176.11 22.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.016 0.526 . . . . 0.0 109.806 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -82.28 128.01 33.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.243 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.547 HH21 ' HB2' ' A' ' 67' ' ' TRP . 25.6 mtp180 -112.87 123.84 51.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.931 0.396 . . . . 0.0 110.264 177.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -111.41 143.46 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.434 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -89.2 114.37 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.5 mt -54.53 -32.04 57.43 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -171.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.9 p -65.52 -41.11 93.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -173.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -109.41 -16.82 13.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.741 0.305 . . . . 0.0 111.414 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 91' ' ' SER . . . 73.5 26.68 69.31 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -169.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' A' ' 88' ' ' GLU . 5.0 tp -90.09 136.33 33.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.799 -0.701 . . . . 0.0 110.523 -174.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 87' ' ' ASP . 24.0 t -86.31 147.76 25.92 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ttt -57.02 -67.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -92.42 -18.47 23.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.474 ' HB2' ' SG ' ' A' ' 84' ' ' CYS . 13.1 m-20 -95.77 10.8 35.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.269 -174.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.46 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.0 pt-20 -33.89 -41.65 0.1 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -170.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -66.56 -31.91 72.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.904 0.775 . . . . 0.0 111.224 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -107.3 42.09 1.38 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.492 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' A' ' 82' ' ' GLY . 73.1 m -71.65 178.02 3.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.068 0.461 . . . . 0.0 111.919 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.585 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 35.4 m -91.02 -175.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.432 -174.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 45.0 tttp -88.59 124.58 34.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.259 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.524 ' HA ' HG21 ' A' ' 42' ' ' ILE . 21.9 t-80 -107.53 128.84 54.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 111.108 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.448 ' OH ' ' HD3' ' A' ' 93' ' ' LYS . 83.0 m-85 -107.26 167.26 10.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.077 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -95.38 132.11 40.78 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.88 147.38 47.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.892 0.377 . . . . 0.0 111.619 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -155.43 157.57 37.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.862 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 37' ' ' ASP . 85.4 t -105.73 112.55 39.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.338 0.59 . . . . 0.0 110.639 177.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -91.06 90.44 7.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.444 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 57.0 23.18 8.05 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.693 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.29 -7.73 26.78 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.762 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 48.1 t -103.87 129.06 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.802 0.301 . . . . 0.0 110.509 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.5 122.22 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 122.361 -0.212 . . . . 0.0 110.689 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.499 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 61.0 mt-30 -117.78 143.63 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.617 0.246 . . . . 0.0 110.377 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.2 mt -128.15 139.96 52.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -113.72 113.61 25.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 171.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -124.18 166.03 16.89 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.257 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -82.65 68.26 3.57 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.217 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.7 m . . . . . 0 C--O 1.246 0.89 0 CA-C-O 119.008 -0.52 . . . . 0.0 110.128 177.73 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.611 0.243 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.987 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 4.2 m -90.65 109.8 20.96 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -93.97 100.31 12.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.014 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.415 ' CD2' ' HB2' ' A' ' 107' ' ' ARG . 81.0 m95 -89.7 95.59 10.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -89.52 122.43 32.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.792 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.64 112.33 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -81.82 -69.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.418 0.628 . . . . 0.0 110.1 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -162.18 177.03 10.03 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 57.6 mttm -81.86 158.93 23.85 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.485 -177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.98 -11.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.451 0.643 . . . . 0.0 110.834 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -77.73 -21.83 51.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.343 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.69 -49.66 10.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.049 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.0 mt -86.96 101.49 11.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.614 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 86.5 mt -76.67 167.7 34.44 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.904 -177.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.614 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 17.0 Cg_endo -57.23 143.37 93.69 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.719 2.28 . . . . 0.0 111.892 174.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 61.77 35.09 16.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.786 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 m -126.47 136.58 52.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.45 139.42 14.12 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.15 148.74 33.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.897 0.379 . . . . 0.0 110.95 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 p -97.62 113.39 25.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.155 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.37 179.93 3.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.264 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.55 125.16 33.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.696 0.284 . . . . 0.0 110.816 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 tp -117.15 115.31 25.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.81 -102.56 0.99 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -171.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -129.54 -0.14 4.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.844 0.354 . . . . 0.0 110.424 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.15 148.26 22.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.256 0.55 . . . . 0.0 110.88 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -87.11 118.98 26.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.338 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -112.14 133.77 56.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.24 118.51 36.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.127 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.499 HD11 HD11 ' A' ' 106' ' ' LEU . 56.3 mt -101.79 122.57 54.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.924 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.11 125.0 49.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.877 0.37 . . . . 0.0 110.995 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -108.71 100.23 37.93 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.512 ' HB3' HG22 ' A' ' 59' ' ' ILE . 74.2 Cg_endo -80.19 -43.23 0.13 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.953 2.435 . . . . 0.0 113.16 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' A' ' 66' ' ' LEU . 69.2 m-85 -90.01 171.19 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.233 0.539 . . . . 0.0 110.922 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.53 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 8.4 t-80 -86.91 -3.54 59.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.53 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.664 ' HB2' ' OE1' ' A' ' 38' ' ' GLN . 1.5 m -97.72 -150.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.922 -176.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -90.55 6.38 43.85 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.664 ' OE1' ' HB2' ' A' ' 36' ' ' SER . 27.1 mp0 -79.87 109.67 14.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 111.378 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 m -126.57 143.7 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.911 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -126.96 148.67 50.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.399 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.65 129.04 38.32 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.034 0.445 . . . . 0.0 111.368 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.5 pt -135.7 169.54 20.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.266 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.3 m -60.41 129.38 41.37 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 64.1 t30 -74.53 -15.17 60.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.485 -175.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 51' ' ' SER . 50.7 mt -121.64 128.33 75.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.787 178.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -83.81 148.52 54.54 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.735 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -84.04 -24.91 2.47 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.94 2.426 . . . . 0.0 114.313 -172.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -91.61 -45.21 8.6 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -170.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 51.8 t80 -107.2 -8.03 16.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.923 0.392 . . . . 0.0 110.153 -176.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 10.1 pt-20 48.87 80.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.653 1.181 . . . . 0.0 113.322 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 3.4 m -102.05 114.16 28.04 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 169.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.4 m -59.48 -39.36 83.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -171.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 m -128.51 124.17 61.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.182 0.515 . . . . 0.0 111.613 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 79.8 mt -92.44 -15.03 27.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.304 170.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 m -68.42 -13.69 62.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.43 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -92.14 40.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.505 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.85 164.6 24.71 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.904 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.84 143.3 26.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.808 0.337 . . . . 0.0 110.795 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.512 HG22 ' HB3' ' A' ' 33' ' ' PRO . 62.4 mt -102.81 129.6 54.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.826 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.28 143.07 30.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.053 0.454 . . . . 0.0 111.574 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.97 105.25 17.68 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -78.98 -55.53 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.231 -173.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -168.75 85.13 0.16 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.196 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.24 -6.89 58.79 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.69 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -139.76 144.6 37.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 110.705 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.502 HD13 ' CE2' ' A' ' 34' ' ' TYR . 69.6 mt -88.12 120.29 29.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.681 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -117.26 136.09 53.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.789 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.6 p -109.53 139.37 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.94 116.51 17.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.865 0.364 . . . . 0.0 111.717 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.472 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 14.7 m -77.95 119.91 79.22 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.506 174.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.505 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 24.3 Cg_exo -64.34 -8.76 17.67 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.605 2.87 . . . . 0.0 114.006 -172.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.546 ' H ' HD21 ' A' ' 72' ' ' LEU . 3.0 mm? -52.53 -70.78 0.08 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.121 0.486 . . . . 0.0 110.538 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 70.5 mmtt -118.97 9.43 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.023 175.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.625 ' HZ1' ' HB2' ' A' ' 74' ' ' LYS . 4.4 ttmp? 59.57 66.58 0.99 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.552 -176.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -89.24 121.63 31.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.909 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 1.4 mpt_? -95.86 122.29 38.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.209 -174.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.36 120.71 37.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.697 0.284 . . . . 0.0 110.693 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.556 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 57.0 ttp180 -75.77 107.49 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.48 -31.32 65.87 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.85 -174.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -45.32 -50.3 12.13 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.046 0.841 . . . . 0.0 111.922 -176.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.482 ' HA ' ' CD2' ' A' ' 94' ' ' HIS . 31.5 t70 -144.29 20.35 1.73 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.276 0.56 . . . . 0.0 111.419 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.99 41.75 80.59 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.636 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 78' ' ' ARG . 9.0 tp -94.16 104.78 16.79 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.469 -178.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.8 t -70.46 133.3 46.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 172.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 ttt -65.07 -34.97 79.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.939 0.4 . . . . 0.0 110.904 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -88.86 -49.77 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.586 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -83.77 10.49 9.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.324 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.502 ' HG3' HD12 ' A' ' 83' ' ' LEU . 41.8 tt0 -36.18 -35.16 0.07 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.399 1.48 . . . . 0.0 113.702 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.781 HE21 ' HA ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -45.94 -42.77 13.3 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 123.473 0.483 . . . . 0.0 111.86 -178.044 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -128.95 -23.52 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.111 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.8 m 67.82 -168.7 0.19 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.337 0.398 . . . . 0.0 111.38 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 m -114.57 -168.87 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.333 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -80.49 130.92 35.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.482 ' CD2' ' HA ' ' A' ' 81' ' ' ASP . 41.9 t-80 -103.69 114.77 29.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.769 174.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -97.02 145.98 25.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.967 0.413 . . . . 0.0 110.507 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -86.92 114.88 23.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.561 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -112.86 146.4 38.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -150.53 169.15 22.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.808 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.91 94.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.339 0.59 . . . . 0.0 109.957 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -83.36 97.36 8.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.231 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.4 t70 58.29 16.74 4.2 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.454 0.645 . . . . 0.0 111.253 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.16 3.06 27.98 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.554 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 58.3 t -109.8 128.14 66.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.553 0.216 . . . . 0.0 110.643 178.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.11 121.56 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -116.53 153.88 31.41 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.862 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.499 HD11 HD11 ' A' ' 30' ' ' ILE . 74.3 mt -122.95 127.91 49.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.895 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.987 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 10.4 ttp180 -110.56 115.19 29.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.082 0.468 . . . . 0.0 109.919 171.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -122.09 87.64 0.4 Allowed Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -70.86 86.95 0.37 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.232 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.76 177.53 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.471 ' OG ' ' HD3' ' A' ' 107' ' ' ARG . 47.8 t -157.58 -68.15 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.314 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 56.34 75.45 0.34 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.233 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 94.3 m95 -71.77 87.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 171.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 44.5 tptt -73.14 113.16 9.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.453 -175.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.05 115.24 13.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.052 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.404 ' HB ' ' H ' ' A' ' 8' ' ' CYS . 29.0 mm -91.09 -81.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.874 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' H ' ' HB ' ' A' ' 7' ' ' ILE . 74.5 m -140.19 170.58 15.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.153 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 57.1 mtpt -79.07 144.85 34.2 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 99' ' ' VAL . 18.1 tt -68.62 -7.53 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.632 0.729 . . . . 0.0 110.279 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.88 -19.53 60.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.019 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -86.54 -42.78 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mt -79.87 104.91 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.039 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.18 156.6 91.62 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.617 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.57 142.85 95.67 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.493 2.128 . . . . 0.0 111.84 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 67.32 30.7 6.91 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.913 0.758 . . . . 0.0 110.785 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 m -127.34 136.33 51.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.525 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.76 136.01 10.42 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -126.0 158.26 35.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.856 0.36 . . . . 0.0 111.24 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -103.93 108.5 19.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.375 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.03 151.26 20.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.542 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -100.83 100.29 10.92 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -97.93 85.22 3.47 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.1 -116.88 4.91 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -168.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -107.47 0.75 23.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.311 0.577 . . . . 0.0 109.85 172.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -85.25 112.86 21.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.044 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -78.92 109.73 13.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.181 0.515 . . . . 0.0 109.767 175.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.474 HG11 HD12 ' A' ' 106' ' ' LEU . 31.4 t -101.91 129.38 53.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.21 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.498 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -90.62 106.89 18.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.346 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.491 HD11 HD11 ' A' ' 106' ' ' LEU . 52.1 mt -92.97 113.16 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.567 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.592 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 96.1 m-85 -107.54 122.83 47.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.79 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -106.47 100.12 28.34 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 167.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HB2' HD12 ' A' ' 66' ' ' LEU . 73.6 Cg_endo -92.51 -25.01 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.763 2.309 . . . . 0.0 113.179 -177.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -98.64 166.18 11.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.171 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -83.21 -9.74 58.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.434 0.635 . . . . 0.0 109.369 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 m -79.65 -167.28 1.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.904 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -96.18 31.29 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.547 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -105.02 116.01 31.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.641 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.7 m -127.76 153.85 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.299 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -131.55 151.01 51.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.358 -0.383 . . . . 0.0 109.982 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -133.49 128.34 35.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.133 0.492 . . . . 0.0 111.541 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.9 pt -134.2 -176.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.134 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 54' ' ' LEU . 14.4 m -65.27 122.1 16.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 175.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.498 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 9.1 t30 -75.32 -31.74 60.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.795 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.625 HG12 ' O ' ' A' ' 52' ' ' SER . 22.2 mt -109.1 127.77 65.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.398 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.488 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -78.11 122.6 85.56 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.146 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 5.8 Cg_endo -87.17 -7.16 7.09 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.094 2.529 . . . . 0.0 113.497 -174.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -90.39 -56.4 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.079 0.466 . . . . 0.0 110.18 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.597 ' HZ ' ' HE2' ' A' ' 73' ' ' LYS . 49.0 t80 -95.32 -10.58 29.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.675 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 42.0 mt-10 65.43 64.4 0.6 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.361 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.6 m -102.45 117.42 34.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.84 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.625 ' O ' HG12 ' A' ' 45' ' ' ILE . 21.1 m -65.5 -42.19 92.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -167.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.68 HG21 ' HD3' ' A' ' 56' ' ' ARG . 6.6 m -128.72 124.01 60.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 43' ' ' SER . 74.9 mt -92.63 -24.28 18.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.084 167.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.592 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 3.4 p -63.77 -28.04 69.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.143 -175.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.68 ' HD3' HG21 ' A' ' 53' ' ' VAL . 69.2 mtp180 -86.99 41.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.843 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.55 164.64 24.61 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.146 -175.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.401 HD21 ' N ' ' A' ' 58' ' ' LEU . 2.8 mm? -81.71 142.76 32.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.79 0.328 . . . . 0.0 111.174 -172.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.25 105.3 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.627 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.99 149.67 32.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.297 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.0 141.73 43.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.729 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 67' ' ' TRP . 51.8 t-80 -129.36 78.2 1.84 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.618 172.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 59.76 18.68 7.49 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.649 174.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.75 -42.9 1.03 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.253 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.58 158.6 18.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 33' ' ' PRO . 88.8 mt -106.51 117.81 35.02 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.153 0.502 . . . . 0.0 110.158 175.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.428 ' CZ2' ' HD3' ' A' ' 78' ' ' ARG . 37.4 m95 -111.1 133.45 53.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.417 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -96.79 127.97 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.108 0.48 . . . . 0.0 110.204 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -111.97 116.89 31.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.486 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 p -80.5 123.18 82.97 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.52 0.06 8.07 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.79 2.326 . . . . 0.0 112.409 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.6 -61.44 2.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.597 ' HE2' ' HZ ' ' A' ' 49' ' ' PHE . 17.7 tptt -131.85 12.52 4.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.016 0.436 . . . . 0.0 109.976 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 62.19 67.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.048 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -110.31 147.49 33.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -124.69 117.91 25.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.152 0.501 . . . . 0.0 111.132 -172.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -119.22 142.08 48.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.441 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HD3' ' CZ2' ' A' ' 67' ' ' TRP . 53.0 ttp180 -89.59 95.09 10.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 80' ' ' SER . 2.2 pp -62.61 -17.7 60.77 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.436 ' N ' HD12 ' A' ' 79' ' ' LEU . 45.9 t -62.94 -55.49 25.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.606 0.241 . . . . 0.0 111.022 -178.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -110.05 -12.88 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.571 0.224 . . . . 0.0 111.481 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.47 14.24 51.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.781 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.488 HD13 ' HG3' ' A' ' 88' ' ' GLU . 13.7 tp -77.45 145.29 37.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.769 0.318 . . . . 0.0 110.693 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.519 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 23.2 t -100.16 145.35 28.12 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 171.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.3 ttt -60.92 -62.62 1.73 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -173.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -12.74 30.61 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 11.9 t70 -98.26 10.74 39.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 109.759 176.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.488 ' HG3' HD13 ' A' ' 83' ' ' LEU . 35.1 tt0 -34.29 -38.17 0.06 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.758 1.223 . . . . 0.0 113.972 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.3 pm0 -59.47 -23.12 62.47 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -132.1 -65.41 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.222 -0.299 . . . . 0.0 110.943 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.3 m 69.35 179.88 0.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 112.288 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 m -91.24 -179.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.588 -174.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -90.05 124.79 35.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.853 -175.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -90.01 136.65 32.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.34 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -109.52 135.7 50.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 37.6 mm-40 -77.49 120.4 22.42 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.277 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.74 146.26 42.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.975 0.417 . . . . 0.0 111.524 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -150.23 156.49 41.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.594 173.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.421 HG21 HD13 ' A' ' 10' ' ' ILE . 63.5 t -104.3 99.85 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.125 0.488 . . . . 0.0 110.247 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -94.03 105.18 17.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.488 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.8 t70 63.14 11.01 4.94 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.547 0.689 . . . . 0.0 110.869 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.34 -4.27 26.66 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.354 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 59.6 t -102.12 130.92 51.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.886 0.343 . . . . 0.0 110.642 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 t -76.7 118.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 73.8 mt-30 -114.07 133.89 55.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.795 0.331 . . . . 0.0 110.735 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.491 HD11 HD11 ' A' ' 30' ' ' ILE . 45.4 mt -117.42 119.97 36.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.684 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.519 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 23.5 ttp180 -91.6 117.2 29.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.131 0.491 . . . . 0.0 110.102 173.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 167.17 -177.77 41.62 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.352 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.99 -58.09 0.68 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.803 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 C--O 1.247 0.933 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.227 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.956 0.408 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.488 ' HB3' HH11 ' A' ' 107' ' ' ARG . 12.3 p -144.63 89.83 2.02 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.0 0.429 . . . . 0.0 111.895 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -91.75 85.88 5.78 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 171.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.435 ' CD1' ' HB2' ' A' ' 2' ' ' SER . 95.7 m95 -84.7 102.36 12.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.018 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -79.71 125.82 30.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.915 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.09 138.49 49.79 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.433 HG13 HD13 ' A' ' 30' ' ' ILE . 50.1 mm -111.45 -72.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.424 0.631 . . . . 0.0 110.318 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.8 p -156.86 -165.05 1.76 Allowed 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -101.65 161.79 13.38 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.431 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.4 tp -65.9 -12.55 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.705 0.764 . . . . 0.0 110.031 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.46 -31.16 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.546 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.31 -37.42 77.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.498 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 mt -100.34 112.44 33.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.238 -173.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 80.2 mt -77.8 168.95 23.43 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.318 178.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.696 ' HG3' ' HB3' ' A' ' 35' ' ' HIS . 98.6 Cg_exo -50.66 133.77 39.14 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.766 2.311 . . . . 0.0 113.087 174.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.0 mp0 52.35 56.81 7.17 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.933 0.771 . . . . 0.0 111.053 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -136.34 147.15 47.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.779 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.77 137.37 10.82 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.938 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.1 m -118.76 167.06 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.665 0.269 . . . . 0.0 111.139 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -109.5 112.13 24.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.416 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.62 177.41 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.7 mt -123.66 132.61 53.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.952 0.406 . . . . 0.0 111.148 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -121.69 95.71 4.78 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.06 -120.72 10.83 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.434 -0.889 . . . . 0.0 110.943 -171.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -93.65 -22.43 18.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.022 0.439 . . . . 0.0 110.898 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.72 139.5 30.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.167 0.508 . . . . 0.0 111.343 -176.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -85.24 143.63 28.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.991 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.5 t -131.48 127.58 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.896 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.22 115.31 25.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.748 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.481 HD13 HD11 ' A' ' 106' ' ' LEU . 54.3 mt -97.93 116.42 40.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.62 131.63 54.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.697 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -103.19 99.96 16.14 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 171.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -85.36 -23.09 2.42 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.796 2.331 . . . . 0.0 112.5 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -117.71 130.4 56.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.696 ' HB3' ' HG3' ' A' ' 15' ' ' PRO . 2.5 p-80 -80.99 56.42 2.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.229 0.538 . . . . 0.0 111.056 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 p -135.18 -85.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.161 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.0 -35.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.685 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.82 114.74 4.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.111 -171.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.97 156.17 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.018 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -137.57 147.21 44.9 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.86 137.73 53.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.645 0.259 . . . . 0.0 111.326 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 93' ' ' LYS . 24.3 pt -144.36 -172.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.054 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 m -73.2 141.56 47.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.486 0.184 . . . . 0.0 111.149 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.509 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 6.1 m120 -78.1 -42.41 32.12 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.077 0.465 . . . . 0.0 110.477 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 51' ' ' SER . 25.9 mm -103.72 141.48 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.459 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -59.17 116.14 14.79 Favored Pre-proline 0 N--CA 1.466 0.36 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 170.344 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.85 -55.47 0.41 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.253 1.969 . . . . 0.0 112.078 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -91.64 -7.36 50.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.792 -174.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.609 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 85.6 t80 -114.19 -27.63 7.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -175.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 65.23 93.19 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.461 0.648 . . . . 0.0 111.189 -176.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 45' ' ' ILE . 98.1 p -126.55 -165.6 1.47 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 m -102.94 -168.68 1.55 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -68.39 124.61 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.491 0.662 . . . . 0.0 111.415 -175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.653 HD21 ' HG ' ' A' ' 70' ' ' SER . 40.1 mt -74.04 -10.6 59.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.34 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 m -61.31 -22.81 65.23 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.503 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -97.18 41.28 1.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.443 0.64 . . . . 0.0 110.333 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.68 164.56 24.66 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.526 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.441 HD21 ' N ' ' A' ' 58' ' ' LEU . 2.3 mm? -95.46 126.78 40.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.849 0.357 . . . . 0.0 111.271 -168.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 16' ' ' GLU . 68.5 mt -78.5 123.93 36.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -136.15 -171.86 2.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.725 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -122.74 129.21 51.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.31 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -101.18 -43.9 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.589 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' C ' ' H ' ' A' ' 65' ' ' GLU . 9.3 pt20 -152.48 60.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.155 0.503 . . . . 0.0 110.46 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.62 -28.83 2.69 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.013 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 63' ' ' GLN . 39.2 mt-10 -88.63 146.71 24.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.53 112.7 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.505 0.669 . . . . 0.0 110.854 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.55 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 24.9 m95 -111.13 152.17 27.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.068 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.9 p -96.47 125.82 49.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.177 0.513 . . . . 0.0 109.677 176.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -97.39 103.65 15.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.653 ' HG ' HD21 ' A' ' 54' ' ' LEU . 13.5 m -78.12 125.19 85.55 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.937 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.66 -27.06 81.87 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.694 2.262 . . . . 0.0 111.697 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.416 ' N ' HD11 ' A' ' 72' ' ' LEU . 6.7 mp -81.61 116.73 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.015 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HZ2' ' HB3' ' A' ' 75' ' ' GLN . 1.8 tmmt? 71.03 -6.81 1.22 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.246 0.619 . . . . 0.0 111.913 175.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm 64.98 28.66 12.5 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.044 0.45 . . . . 0.0 111.354 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.435 ' HB3' ' HZ2' ' A' ' 73' ' ' LYS . 3.2 pt20 -71.55 154.48 41.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.122 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -126.92 120.94 30.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.796 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.44 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 64.0 m-85 -118.05 130.97 56.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.253 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -91.14 97.24 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 79' ' ' LEU . 1.2 pp -65.28 -14.47 60.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.582 -173.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m -66.65 -46.88 74.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.534 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -117.54 -29.96 5.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.582 0.23 . . . . 0.0 111.117 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.0 -1.56 19.54 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.527 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.99 135.82 52.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 0.0 111.024 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 16.7 m -110.67 137.39 48.4 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 19.0 ttt -75.57 -62.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.77 0.319 . . . . 0.0 111.721 -172.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -84.87 -32.25 23.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.601 0.715 . . . . 0.0 109.82 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 1.0 OUTLIER -83.29 10.23 8.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.923 -178.462 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -42.65 -31.31 0.44 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.095 1.358 . . . . 0.0 113.408 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -53.71 -37.14 62.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.193 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -149.56 69.42 1.04 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 110.151 -176.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.68 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 59.9 m -52.0 157.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.444 174.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.7 m -90.3 167.74 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -169.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 52.6 mtpt -76.01 117.0 17.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.64 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -97.1 115.04 26.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.082 0.468 . . . . 0.0 110.296 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -99.64 152.63 19.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.522 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.67 131.5 37.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.724 0.297 . . . . 0.0 110.601 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.8 141.53 50.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.305 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -149.78 159.43 44.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.707 0.289 . . . . 0.0 110.42 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.62 111.41 32.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.658 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -110.87 113.54 26.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.275 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 62.8 17.96 10.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.126 0.488 . . . . 0.0 110.218 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.53 -1.19 58.43 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.418 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.9 t -108.59 128.21 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.614 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.83 127.6 37.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.409 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -119.48 153.52 35.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.469 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.481 HD11 HD13 ' A' ' 30' ' ' ILE . 88.8 mt -124.7 133.07 53.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.013 178.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.488 HH11 ' HB3' ' A' ' 2' ' ' SER . 49.1 ttp180 -117.14 104.69 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 170.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.41 112.83 1.97 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.219 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -87.99 88.47 1.56 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.615 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.466 -178.679 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 pmm? . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.476 0.179 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m 74.6 -69.82 0.17 Allowed 'General case' 0 C--O 1.232 0.16 0 O-C-N 123.99 0.806 . . . . 0.0 111.468 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 50.32 63.95 2.0 Allowed 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.668 0.605 . . . . 0.0 111.268 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -63.4 94.14 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.186 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -82.8 124.55 30.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.889 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -72.35 115.05 11.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.593 175.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.0 mm -88.94 -75.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.267 0.556 . . . . 0.0 110.714 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.7 m -150.06 -172.57 4.2 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -92.02 157.73 16.62 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.928 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.476 HD13 ' HD2' ' A' ' 32' ' ' ARG . 11.0 tp -69.74 -15.19 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.327 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -65.45 -25.17 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.511 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -87.78 -10.12 51.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.239 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -117.32 113.86 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 90.6 mt -86.11 162.0 47.79 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.641 0.257 . . . . 0.0 111.132 -175.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 19.5 Cg_endo -60.08 122.91 12.12 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 122.428 2.085 . . . . 0.0 111.974 175.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 59' ' ' ILE . 69.4 mt-10 76.94 31.72 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.309 1.044 . . . . 0.0 111.895 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.3 p -130.55 161.12 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.704 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -136.48 139.7 10.87 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.616 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -120.59 160.99 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 m -93.85 109.3 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.552 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.82 27.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.048 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.1 104.97 14.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.074 0.464 . . . . 0.0 111.015 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.3 tp -91.07 95.03 9.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 175.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.72 -95.42 0.9 Allowed Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -169.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.53 -4.97 4.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.333 0.587 . . . . 0.0 110.117 169.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -80.49 132.66 35.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.016 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.36 115.88 25.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.687 0.756 . . . . 0.0 111.487 -176.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.7 t -107.47 132.76 54.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.698 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.53 109.96 21.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.705 0.288 . . . . 0.0 110.342 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.489 HD11 HD11 ' A' ' 106' ' ' LEU . 61.3 mt -96.82 108.95 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.961 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.44 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 94.2 m-85 -102.79 123.9 47.31 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.476 ' HD2' HD13 ' A' ' 10' ' ' ILE . 77.0 ttt180 -101.54 99.94 12.77 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 169.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 87.0 Cg_endo -93.11 -19.08 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.726 2.284 . . . . 0.0 112.827 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -102.22 165.84 10.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.062 0.458 . . . . 0.0 110.769 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -79.66 -26.89 40.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 m -83.14 -162.43 0.61 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.305 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -80.99 13.41 2.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.095 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -85.57 103.77 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.034 0.445 . . . . 0.0 110.96 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.23 152.61 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.31 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.91 129.99 39.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.293 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB1' ' HB2' ' A' ' 95' ' ' TYR . . . -111.43 130.17 55.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.041 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 pt -137.74 -172.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.232 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.471 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 35.3 t -68.65 149.58 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.593 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 64.9 t30 -95.54 -11.58 27.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -176.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 51' ' ' SER . 48.5 mm -119.65 142.68 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 4.5 m-20 -73.09 152.76 90.67 Favored Pre-proline 0 N--CA 1.472 0.629 0 CA-C-O 120.661 0.267 . . . . 0.0 110.997 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 6.0 Cg_exo -79.09 -79.44 0.0 OUTLIER 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 123.298 2.665 . . . . 0.0 113.487 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 90' ' ' PHE . 18.9 m-85 -81.16 -38.36 27.27 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.034 0.445 . . . . 0.0 110.322 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CZ ' ' HE2' ' A' ' 73' ' ' LYS . 13.9 t80 -65.53 -31.88 73.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.282 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 43.25 75.18 0.1 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.323 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.9 t -119.78 -165.61 1.19 Allowed 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 173.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -88.28 -153.65 0.25 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.228 0.537 . . . . 0.0 111.292 -173.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.593 ' HA ' ' O ' ' A' ' 44' ' ' ASN . 19.1 m -68.04 134.27 30.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.273 -171.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.51 HD21 ' HG ' ' A' ' 70' ' ' SER . 30.4 mt -80.06 -11.7 59.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.216 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -59.29 -28.08 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.297 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -91.46 40.41 1.03 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.041 0.448 . . . . 0.0 110.09 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.48 164.74 24.59 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.747 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.674 ' H ' HD21 ' A' ' 58' ' ' LEU . 2.4 pt? -102.43 162.28 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.037 0.446 . . . . 0.0 110.783 -176.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 16' ' ' GLU . 72.9 mt -114.56 133.57 60.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.619 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.03 151.27 50.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.4 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -95.88 130.35 42.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.126 0.489 . . . . 0.0 111.694 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -77.47 -59.97 2.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.01 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 178.33 92.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.99 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.97 3.25 84.28 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -173.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -129.41 124.29 33.79 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 91.2 mt -95.59 113.09 24.71 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.253 0.549 . . . . 0.0 109.914 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -102.81 148.53 25.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.689 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 14.8 p -99.4 137.87 25.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.437 ' HB2' HH11 ' A' ' 76' ' ' ARG . . . -122.87 114.47 20.52 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.946 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.51 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.0 m -78.19 115.59 52.11 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.506 175.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.35 23.1 0.55 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.921 2.414 . . . . 0.0 112.369 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 70' ' ' SER . 66.2 mt -80.87 -59.56 2.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.778 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.521 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 30.8 mtmm -134.68 -76.65 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.537 171.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 13.5 ptmm? -174.4 97.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.178 0.513 . . . . 0.0 111.326 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.6 pm0 -150.26 145.97 26.52 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.437 HH11 ' HB2' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -133.36 122.34 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -171.171 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 65.7 m-85 -113.41 128.93 56.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.994 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -80.57 101.44 9.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.84 -23.27 42.86 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -173.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.3 t -61.26 -17.28 52.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.381 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 33.0 t70 -143.84 -38.33 0.31 Allowed 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 120.63 0.252 . . . . 0.0 111.441 177.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.63 -1.37 24.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.2 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 tt -76.54 138.52 40.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.09 0.471 . . . . 0.0 110.949 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 88' ' ' GLU . 53.8 t -98.93 154.75 17.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.34 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 52.9 ttm -81.9 -41.27 21.16 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.026 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -92.53 -26.93 17.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.981 0.419 . . . . 0.0 111.029 -176.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 9.6 m-20 -96.21 10.7 36.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.656 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 36.3 tt0 -34.03 -63.67 0.26 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -167.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.24 -27.33 68.37 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -171.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.495 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 61.5 t80 -133.74 67.08 1.53 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.525 0.679 . . . . 0.0 109.254 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.89 -168.57 1.83 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.192 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 43' ' ' SER . 32.9 m -92.31 163.42 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.142 0.496 . . . . 0.0 111.963 -172.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.57 122.28 23.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.516 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 9.8 t-160 -85.88 119.43 26.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.603 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.426 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 80.4 m-85 -92.79 141.57 28.3 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 1.8 mp0 -79.79 107.65 12.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.913 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.45 152.68 32.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.447 -175.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -150.32 153.08 35.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.411 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.9 t -97.76 102.32 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.303 0.573 . . . . 0.0 109.776 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -92.52 96.33 10.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.269 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 60.65 19.38 9.36 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.257 0.348 . . . . 0.0 111.427 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.51 -9.26 28.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.513 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.65 129.51 52.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.536 0.208 . . . . 0.0 110.466 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.47 120.62 33.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -112.76 140.06 47.86 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.284 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.489 HD11 HD11 ' A' ' 30' ' ' ILE . 65.2 mt -115.18 130.58 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.878 0.371 . . . . 0.0 111.183 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.447 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 10.8 ttp180 -111.42 117.67 33.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 171.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -165.0 157.42 29.87 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.134 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.92 -78.09 1.01 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.923 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.528 -0.749 . . . . 0.0 110.174 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.623 ' O ' ' HG3' ' A' ' 107' ' ' ARG . 61.6 m -147.46 -53.41 0.21 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 173.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 5.9 tp60 59.53 79.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.768 -174.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CE2' ' HD3' ' A' ' 107' ' ' ARG . 96.2 m95 -91.7 90.49 7.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.925 172.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -95.19 131.3 41.39 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.832 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' HA ' ' HG2' ' A' ' 105' ' ' GLN . 7.0 p-10 -72.07 138.12 47.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.878 175.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.432 HG21 ' HB3' ' A' ' 21' ' ' ALA . 30.5 mm -102.24 -67.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.615 0.721 . . . . 0.0 109.445 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.0 p -155.43 174.74 14.82 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.47 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.656 ' HZ3' ' HB2' ' A' ' 9' ' ' LYS . 9.8 mtmp? -73.74 154.23 39.69 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 99' ' ' VAL . 19.3 tt -72.33 -11.88 15.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.918 0.865 . . . . 0.0 109.145 175.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.41 -28.39 67.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.565 174.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.459 ' OD1' ' HB2' ' A' ' 9' ' ' LYS . 4.6 m-20 -77.3 -29.77 53.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.884 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mt -105.37 103.81 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.386 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.35 156.57 91.68 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.442 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 18.2 Cg_endo -60.36 146.58 96.35 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.329 2.019 . . . . 0.0 111.706 175.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' PRO . 25.5 mm-40 67.29 29.84 7.38 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.656 0.597 . . . . 0.0 110.628 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -130.59 144.21 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.83 133.01 7.44 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -128.7 171.44 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.783 0.325 . . . . 0.0 111.153 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -97.93 130.22 44.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.723 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB3' HG21 ' A' ' 7' ' ' ILE . . . -127.62 167.94 15.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.35 120.38 26.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.315 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 106' ' ' LEU . 52.3 tp -96.69 85.84 3.94 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.16 -88.01 1.09 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -129.5 -4.65 4.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.384 0.611 . . . . 0.0 110.115 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -82.02 141.04 33.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.643 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -88.07 122.72 31.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.932 0.396 . . . . 0.0 110.539 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG12 HD12 ' A' ' 106' ' ' LEU . 44.2 t -129.37 139.38 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.412 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.79 116.9 33.74 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.505 HD13 HD11 ' A' ' 106' ' ' LEU . 58.1 mt -103.28 122.83 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.05 0.452 . . . . 0.0 110.553 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 81.0 m-85 -115.87 129.45 56.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.16 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -111.7 99.9 46.46 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.502 ' HB3' HG21 ' A' ' 59' ' ' ILE . 1.2 Cg_endo -83.14 -37.78 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.047 2.498 . . . . 0.0 112.335 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -90.34 160.29 16.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.224 0.535 . . . . 0.0 111.107 -175.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -76.45 -15.99 59.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.826 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 p -87.2 -163.24 0.89 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.203 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HB2' ' HB ' ' A' ' 99' ' ' VAL . 7.7 p-10 -85.57 11.46 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.474 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -83.55 97.68 9.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.078 0.466 . . . . 0.0 110.965 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -115.37 155.31 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.298 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -127.5 141.53 51.63 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.65 130.22 37.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.893 0.378 . . . . 0.0 111.387 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.6 pt -138.65 172.35 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.94 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.633 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 20.0 p -64.83 136.48 56.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -84.06 -6.72 59.46 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -171.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 51' ' ' SER . 67.6 mt -109.84 123.11 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.593 0.235 . . . . 0.0 111.084 -176.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.748 ' HB2' ' H ' ' A' ' 50' ' ' GLU . 1.3 m-20 -61.83 132.93 93.55 Favored Pre-proline 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 177.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HD3' HG11 ' A' ' 92' ' ' VAL . 2.8 Cg_endo -82.26 -13.66 9.89 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.282 1.988 . . . . 0.0 110.324 168.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.835 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 87.4 t80 -89.24 -55.32 3.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.289 -177.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -111.08 -22.11 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.085 -175.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.748 ' H ' ' HB2' ' A' ' 46' ' ' ASP . 39.1 mt-10 69.06 73.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.155 0.582 . . . . 0.0 112.211 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 48.4 t -109.09 161.68 14.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 171.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 p -87.3 -30.72 20.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 0.0 111.698 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.4 m -128.64 124.54 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.478 0.656 . . . . 0.0 111.829 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.8 mt -92.31 -7.62 47.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.932 170.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.447 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 6.0 m -74.83 0.84 14.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.482 -174.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -104.23 40.55 1.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.613 0.72 . . . . 0.0 109.725 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.88 164.58 24.72 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.958 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -96.41 139.59 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.737 0.303 . . . . 0.0 110.36 -177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 33' ' ' PRO . 61.2 mt -92.38 120.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.084 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.47 164.97 25.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.484 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -101.12 127.82 47.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.957 0.408 . . . . 0.0 111.106 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 11.6 t-160 -76.61 -49.95 15.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.386 175.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 7.9 tp-100 174.57 78.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.226 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.5 -31.24 4.59 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.46 -171.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -88.63 145.07 25.89 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 122.411 0.285 . . . . 0.0 110.63 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.97 119.23 38.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.179 0.514 . . . . 0.0 110.335 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.6 ' HZ3' ' HB2' ' A' ' 85' ' ' MET . 31.6 m95 -116.8 140.41 49.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.007 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.67 124.64 49.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.04 107.49 15.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.409 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.509 ' HB3' HD12 ' A' ' 72' ' ' LEU . 38.5 m -84.3 119.58 73.35 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.56 3.21 3.3 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.728 2.286 . . . . 0.0 112.46 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.509 HD12 ' HB3' ' A' ' 70' ' ' SER . 7.4 mp -64.59 -72.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.863 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 26.8 mmtp -129.94 25.98 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 111.262 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.0 tptm 71.64 25.43 3.3 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.014 168.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' HG2' ' HB2' ' A' ' 70' ' ' SER . 1.4 pm0 -74.54 139.42 43.77 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.764 0.316 . . . . 0.0 110.356 177.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -127.03 132.37 50.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.744 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -129.66 135.08 48.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.71 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -84.1 112.9 20.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.42 -26.3 68.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -170.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.7 m -68.74 -49.45 58.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -114.22 -17.39 11.87 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.05 14.52 51.56 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.409 HD12 ' OG ' ' A' ' 91' ' ' SER . 30.1 tp -72.16 134.83 45.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.828 0.347 . . . . 0.0 110.774 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.7 t -99.86 136.36 39.89 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 173.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.6 ' HB2' ' HZ3' ' A' ' 67' ' ' TRP . 16.5 ttt -67.74 -34.99 77.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.121 0.486 . . . . 0.0 110.352 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -87.89 -47.67 8.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.564 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.835 ' HB2' ' HB2' ' A' ' 48' ' ' PHE . 24.1 t70 -89.58 10.95 21.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.798 -174.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -37.62 -26.18 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -49.34 -38.59 28.52 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 122.825 0.45 . . . . 0.0 112.14 172.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -134.27 -52.75 0.83 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.137 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.409 ' OG ' HD12 ' A' ' 83' ' ' LEU . 48.7 m 72.04 -179.45 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.379 0.671 . . . . 0.0 111.893 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.633 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 31.6 m -92.12 -178.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.166 0.508 . . . . 0.0 111.854 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -97.99 119.84 37.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.866 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -90.95 134.81 34.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.74 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.413 ' CD2' ' HA3' ' A' ' 108' ' ' GLY . 76.8 m-85 -107.32 145.45 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.872 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -82.72 119.21 24.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.38 136.41 52.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.561 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -135.83 144.99 45.98 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.444 HG21 HD11 ' A' ' 10' ' ' ILE . 59.3 t -98.16 102.26 13.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -97.44 108.95 21.78 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.403 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.5 t70 62.74 25.22 14.99 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.535 0.683 . . . . 0.0 110.619 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.83 2.89 64.5 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.82 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.479 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 62.4 t -113.18 128.63 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.866 0.333 . . . . 0.0 110.37 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 t -75.09 119.92 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.428 ' HG2' ' HA ' ' A' ' 6' ' ' ASP . 89.7 mt-30 -117.89 143.09 46.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.536 176.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.656 ' HB2' HD11 ' A' ' 23' ' ' LEU . 69.5 mt -120.04 139.12 53.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 2' ' ' SER . 8.4 ttp180 -115.69 115.64 26.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 172.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.413 ' HA3' ' CD2' ' A' ' 95' ' ' TYR . . . 176.2 87.29 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.135 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -112.68 -19.83 6.78 Favored Glycine 0 C--N 1.319 -0.391 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.174 177.812 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 121.017 0.437 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.483 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 5.3 p -166.88 101.72 0.55 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.054 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 0.4 OUTLIER -119.74 90.96 3.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.518 0.675 . . . . 0.0 109.715 172.671 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 97.7 m95 -80.57 92.73 5.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.986 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.721 ' HA ' ' HZ2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -76.74 116.8 17.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.399 -177.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.41 112.39 2.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.642 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 21' ' ' ALA . 40.5 mm -87.36 -70.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.192 0.52 . . . . 0.0 110.118 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 p -157.14 177.87 10.99 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HG2' HG21 ' A' ' 103' ' ' VAL . 47.0 mtpt -87.9 161.03 17.7 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.079 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.97 -10.58 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 121.461 0.648 . . . . 0.0 110.71 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.42 -21.85 60.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.104 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -85.3 -44.97 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.915 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.679 HD13 HG23 ' A' ' 104' ' ' VAL . 41.5 mt -94.79 101.32 12.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.725 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.815 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -85.65 171.92 9.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.727 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.536 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 55.9 Cg_exo -53.17 138.46 63.37 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.653 2.235 . . . . 0.0 112.468 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.512 ' HA ' HD13 ' A' ' 59' ' ' ILE . 73.9 mt-10 51.24 62.17 2.85 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.967 -175.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.651 ' OG1' ' HG ' ' A' ' 14' ' ' LEU . 24.2 m -144.86 136.13 25.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.12 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -125.02 132.85 8.25 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.782 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 m -117.91 169.7 8.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.837 0.351 . . . . 0.0 110.758 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -104.34 128.95 52.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.659 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB3' HD11 ' A' ' 7' ' ' ILE . . . -127.53 143.76 51.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.718 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.59 108.14 19.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.6 tp -93.86 91.88 7.15 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.92 -90.09 0.49 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 -174.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -129.59 0.67 4.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.237 0.541 . . . . 0.0 109.938 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -95.59 128.13 42.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.958 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -77.89 123.3 26.6 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.429 HG12 HD11 ' A' ' 106' ' ' LEU . 44.1 t -123.13 138.17 54.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.037 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.413 ' HB1' ' OD1' ' A' ' 44' ' ' ASN . . . -101.2 118.79 37.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.444 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.405 ' CD1' HG13 ' A' ' 7' ' ' ILE . 61.2 mt -103.01 114.46 42.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.016 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.445 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 96.4 m-85 -112.13 130.59 55.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.472 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.534 ' HB2' HG12 ' A' ' 39' ' ' VAL . 79.5 ttt180 -101.93 99.98 13.6 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 170.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.521 ' HB2' HD13 ' A' ' 66' ' ' LEU . 63.0 Cg_endo -95.06 -3.5 2.3 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.978 2.452 . . . . 0.0 112.853 -178.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -107.17 154.36 21.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.54 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -73.81 -22.57 59.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 p -85.09 -163.83 0.9 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.708 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -85.31 14.68 5.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.502 0.321 . . . . 0.0 111.464 -174.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -83.82 110.71 18.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.108 0.48 . . . . 0.0 111.179 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 32' ' ' ARG . 31.5 m -119.48 152.99 22.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.411 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -132.25 145.04 51.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.741 0.305 . . . . 0.0 110.322 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.27 136.13 55.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.951 0.405 . . . . 0.0 111.028 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.4 pt -134.88 162.64 38.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.524 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.518 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 18.8 t -57.89 134.15 56.07 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.413 ' OD1' ' HB1' ' A' ' 29' ' ' ALA . 59.0 t30 -93.59 11.59 28.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.564 -173.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 52' ' ' SER . 39.6 mm -127.68 136.69 59.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.228 176.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.527 ' OD2' ' HB3' ' A' ' 51' ' ' SER . 3.8 m-20 -74.85 129.18 83.9 Favored Pre-proline 0 N--CA 1.468 0.47 0 CA-C-N 117.795 0.271 . . . . 0.0 110.566 175.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.72 -54.55 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.521 2.147 . . . . 0.0 113.762 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -88.41 -41.51 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.004 0.431 . . . . 0.0 110.289 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -71.93 -26.77 62.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.303 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 61.5 79.54 0.25 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.824 0.821 . . . . 0.0 110.585 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.527 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 41.0 t -137.38 163.05 31.96 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.846 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 40.6 m -93.1 -140.48 0.21 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.638 0.256 . . . . 0.0 111.284 -175.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.3 m -67.71 129.31 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.986 0.898 . . . . 0.0 113.299 -167.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.2 mt -92.46 -7.46 47.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.475 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m -65.6 0.96 1.38 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -172.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.583 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 3.5 tpm_? -110.9 40.72 1.96 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.1 0.476 . . . . 0.0 110.373 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.32 164.82 24.53 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.034 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.669 ' H ' HD21 ' A' ' 58' ' ' LEU . 1.6 pt? -91.37 162.68 14.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.971 -175.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 16' ' ' GLU . 69.1 mt -109.69 126.76 66.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.02 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.87 119.02 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.051 0.453 . . . . 0.0 111.234 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.63 125.42 30.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.793 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -79.24 -84.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.623 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -114.28 -16.37 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.463 0.649 . . . . 0.0 109.955 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.52 -25.94 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.584 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.54 145.49 25.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.174 0.511 . . . . 0.0 109.948 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 33' ' ' PRO . 28.1 mt -100.08 116.1 31.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.701 -174.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -112.93 140.18 47.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.449 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.3 p -100.82 133.69 43.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 172.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -110.75 115.61 29.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.263 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.714 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . 20.2 m -89.83 120.57 69.4 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.89 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.6 -4.23 8.0 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.223 2.615 . . . . 0.0 112.724 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.74 -51.37 69.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.854 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 73' ' ' LYS . 23.3 mmmt -141.47 20.69 2.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 -176.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 62.12 36.27 15.28 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -171.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.714 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 63.7 tt0 -73.96 144.27 45.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.415 -1.721 . . . . 0.0 110.881 -170.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -128.68 121.65 29.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.986 0.422 . . . . 0.0 111.906 -172.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.485 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 96.6 m-85 -119.0 132.33 56.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.862 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.462 ' HE ' ' HB3' ' A' ' 81' ' ' ASP . 52.8 ttp180 -85.88 90.16 7.99 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.31 -15.6 60.58 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -170.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.9 m -70.2 -19.01 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.828 0.347 . . . . 0.0 110.779 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.462 ' HB3' ' HE ' ' A' ' 78' ' ' ARG . 8.0 t70 -130.7 -46.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.779 -173.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.79 -13.63 9.87 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.657 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.6 tp -57.45 134.57 56.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.046 0.45 . . . . 0.0 111.484 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.5 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 43.6 t -106.72 146.52 30.71 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 171.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.0 ttt -77.73 -39.25 45.06 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.192 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.493 ' OE1' ' HA ' ' A' ' 75' ' ' GLN . 2.1 pm0 -91.47 -39.71 11.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.63 0.252 . . . . 0.0 111.507 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 11.3 t70 -82.42 10.51 7.0 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.386 0.612 . . . . 0.0 109.595 177.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -34.89 -32.57 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.053 1.341 . . . . 0.0 114.143 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -57.84 -39.24 77.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.616 0.246 . . . . 0.0 111.64 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -118.81 -54.75 2.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.156 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.5 m 71.9 167.3 0.31 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.796 0.685 . . . . 0.0 110.909 -175.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' A' ' 43' ' ' SER . 27.7 m -90.63 145.96 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.404 0.621 . . . . 0.0 111.606 -173.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -64.48 122.66 17.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.23 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -84.8 142.55 29.7 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.448 ' HD1' ' CA ' ' A' ' 108' ' ' GLY . 90.7 m-85 -121.3 163.11 19.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.728 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -99.08 117.55 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.53 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.26 147.06 46.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.829 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -149.2 163.95 36.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.491 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.74 111.03 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -116.39 116.78 28.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.657 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.0 t70 65.19 13.54 8.81 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.868 0.842 . . . . 0.0 110.055 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.84 10.04 58.0 Favored Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.886 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.492 HG21 ' HG2' ' A' ' 9' ' ' LYS . 92.1 t -111.77 129.99 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.679 HG23 HD13 ' A' ' 13' ' ' ILE . 24.7 t -76.39 114.41 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.5 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 70.1 mt-30 -108.51 144.06 36.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.429 HD11 HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -121.97 119.49 31.63 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.548 -177.169 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.483 ' HD2' ' HA ' ' A' ' 2' ' ' SER . 38.0 ttp85 -111.5 119.77 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.448 ' CA ' ' HD1' ' A' ' 95' ' ' TYR . . . -122.81 132.03 8.5 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.083 -1.056 . . . . 0.0 112.613 -178.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.23 55.78 4.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.312 177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.352 -0.833 . . . . 0.0 109.622 -178.547 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.96 0.409 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -107.57 68.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 110.969 178.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -73.55 85.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.599 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -86.61 98.25 10.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -76.3 129.36 36.54 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.223 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.77 98.46 5.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.438 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 mm -78.77 -81.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.928 0.394 . . . . 0.0 111.088 -174.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.9 p -152.41 169.11 23.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.53 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 48.5 mtmt -76.46 147.61 37.78 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.541 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.416 HD13 ' HD2' ' A' ' 32' ' ' ARG . 10.9 tp -63.07 -18.14 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.521 0.677 . . . . 0.0 110.06 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.75 -29.59 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.837 177.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.36 -52.79 9.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 111.408 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -75.41 110.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.048 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.9 mt -73.9 157.76 86.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.789 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HB3' ' HA ' ' A' ' 35' ' ' HIS . 13.6 Cg_endo -56.18 136.15 73.69 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.794 2.329 . . . . 0.0 111.664 175.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 63.74 44.49 4.98 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.739 0.649 . . . . 0.0 111.361 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 m -135.98 133.63 37.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.63 134.6 11.22 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 173.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.2 164.1 28.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 111.876 -173.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.0 m -93.52 123.06 36.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.468 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.48 144.58 51.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.046 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.0 mt -102.98 113.65 27.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.006 0.432 . . . . 0.0 110.807 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 tp -94.31 83.21 4.17 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.29 -96.45 0.63 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.506 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.79 -5.71 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -100.35 139.23 36.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.599 -174.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -89.49 110.7 21.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.688 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.3 t -109.56 136.32 45.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.963 0.411 . . . . 0.0 110.75 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.33 108.21 19.5 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.777 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.496 HD12 HD11 ' A' ' 106' ' ' LEU . 60.5 mt -87.62 108.79 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.743 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -102.8 123.39 46.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.777 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HD2' HD13 ' A' ' 10' ' ' ILE . 78.0 ttt180 -104.69 100.27 22.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 74.8 Cg_endo -84.74 -38.33 0.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.619 2.213 . . . . 0.0 113.135 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -93.87 165.6 12.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.514 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 41.4 t-80 -79.84 -21.15 44.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.994 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.9 m -84.67 -171.55 3.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.815 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.516 ' HB2' HG23 ' A' ' 99' ' ' VAL . 4.3 p-10 -78.96 68.37 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.847 0.832 . . . . 0.0 111.228 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.455 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 28.8 mm-40 -126.8 107.89 10.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.845 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.8 m -122.25 139.56 48.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.32 132.42 48.63 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.5 128.07 51.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.223 0.535 . . . . 0.0 111.839 -173.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 pt -128.28 176.85 6.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.644 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.1 t -64.23 126.45 27.79 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -73.18 -27.04 61.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.405 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.3 mm -109.58 129.74 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.609 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.3 OUTLIER -89.56 118.32 68.94 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.23 176.643 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -94.5 -0.9 2.83 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.001 2.467 . . . . 0.0 113.741 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -91.48 -57.54 2.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.135 0.493 . . . . 0.0 109.761 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.4 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 68.0 t80 -91.95 -5.66 52.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 61.83 74.92 0.43 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.766 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.609 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 10.0 m -117.23 153.02 33.61 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.706 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.452 ' HB2' ' H ' ' A' ' 53' ' ' VAL . 2.8 p -79.0 -145.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.933 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.452 ' H ' ' HB2' ' A' ' 52' ' ' SER . 29.0 m -68.15 127.01 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.427 0.632 . . . . 0.0 111.782 -174.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.56 -6.88 58.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.692 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 p -64.34 -22.26 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.436 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 2.0 ptm180 -86.11 40.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.917 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.57 164.73 24.62 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.75 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 pp -96.25 145.14 25.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.976 0.417 . . . . 0.0 111.187 -173.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.56 131.46 60.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.188 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.6 161.43 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.436 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -125.75 136.22 52.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -95.98 -53.81 3.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.092 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.4 ' C ' ' H ' ' A' ' 65' ' ' GLU . 25.0 tp60 -161.19 73.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.06 -27.18 3.13 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.043 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' CD ' ' HD2' ' A' ' 78' ' ' ARG . 7.9 tp10 -88.58 135.67 33.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.56 130.21 49.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.392 -172.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -127.36 135.15 50.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.37 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.482 ' HB ' HD21 ' A' ' 79' ' ' LEU . 7.4 p -111.9 128.0 68.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.031 0.443 . . . . 0.0 110.063 176.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.17 114.69 29.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.22 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.744 ' HB3' HD11 ' A' ' 72' ' ' LEU . 16.9 m -89.77 116.43 66.33 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.702 -177.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -74.2 23.52 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.715 2.943 . . . . 0.0 112.295 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 70' ' ' SER . 6.8 mp -83.2 -18.05 40.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.602 0.715 . . . . 0.0 109.135 176.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 74' ' ' LYS . 14.3 tppt? -160.38 -83.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.753 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' H ' ' HB3' ' A' ' 73' ' ' LYS . 15.2 tptp -174.99 21.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 175.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -85.5 142.51 29.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.991 -170.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -124.58 134.87 52.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.424 0.631 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -118.95 145.09 46.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.18 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.538 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 19.1 ttp180 -93.72 90.11 6.45 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.482 HD21 ' HB ' ' A' ' 68' ' ' VAL . 2.2 pp -66.36 -13.38 60.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -170.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 p -64.39 -49.03 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.853 0.358 . . . . 0.0 111.02 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -119.77 4.31 11.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.956 0.408 . . . . 0.0 111.232 -178.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.75 38.29 24.19 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.906 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 78' ' ' ARG . 16.6 tp -98.28 145.66 26.43 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.555 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 51.9 m -103.68 143.86 32.21 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 58.9 mtp -64.58 -54.99 23.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.928 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.92 -41.29 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.383 0.611 . . . . 0.0 110.697 -177.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.495 ' HB2' ' HB2' ' A' ' 84' ' ' CYS . 0.7 OUTLIER -82.14 10.4 6.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.975 -176.13 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.485 ' HG3' HD13 ' A' ' 83' ' ' LEU . 34.9 tt0 -33.73 -50.51 0.36 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.544 1.538 . . . . 0.0 114.526 -171.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -60.15 -26.64 66.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -113.71 -59.12 2.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.731 0.3 . . . . 0.0 110.272 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.555 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 64.9 m 63.05 179.76 0.15 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.292 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 m -94.54 178.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.558 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -77.95 126.06 30.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.909 0.385 . . . . 0.0 111.082 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -89.53 127.08 35.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.898 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -102.61 138.07 40.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -88.6 117.27 27.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.017 0.437 . . . . 0.0 110.16 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.54 156.78 27.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.239 -175.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -152.98 157.41 40.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.567 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.516 HG23 ' HB2' ' A' ' 37' ' ' ASP . 46.2 t -99.9 103.84 15.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.193 0.52 . . . . 0.0 109.992 175.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -91.43 94.14 9.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.424 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 t70 60.31 24.22 13.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.262 174.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.8 4.62 34.01 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.152 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 33.4 t -118.26 141.51 37.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.984 0.392 . . . . 0.0 110.332 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 t -82.95 115.62 25.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.779 0.323 . . . . 0.0 110.773 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -105.21 138.58 41.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.859 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.496 HD11 HD12 ' A' ' 30' ' ' ILE . 90.9 mt -121.81 123.58 42.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.894 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.403 HH11 ' HG2' ' A' ' 107' ' ' ARG . 42.4 ttp85 -110.52 105.49 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.221 0.534 . . . . 0.0 109.566 171.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.62 -110.69 1.7 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.469 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -125.57 147.13 16.5 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.172 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.542 177.298 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.458 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.529 ' HA ' ' HG3' ' A' ' 107' ' ' ARG . 4.0 p -80.22 39.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 76.79 10.16 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 174.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 75.3 m95 -61.63 103.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.981 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 47.2 mtpt -72.6 134.54 45.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.393 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -82.03 107.12 14.48 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.8 mm -87.12 -73.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.1 0.476 . . . . 0.0 110.939 -176.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 t -161.26 168.87 23.25 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -69.06 148.79 49.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.484 HD12 ' HD2' ' A' ' 32' ' ' ARG . 10.7 tp -69.69 -13.85 17.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.66 0.743 . . . . 0.0 109.942 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.67 -27.14 67.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.865 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.78 -40.94 46.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.743 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.494 HD13 HG22 ' A' ' 104' ' ' VAL . 41.1 mt -90.48 109.37 20.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.36 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 83.1 mt -79.22 166.72 39.94 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.575 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 16.0 Cg_endo -59.48 144.58 99.38 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.306 2.004 . . . . 0.0 111.972 174.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.515 ' HA ' HD12 ' A' ' 59' ' ' ILE . 43.0 mt-10 62.36 28.26 16.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.307 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 m -121.34 136.74 54.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.918 0.39 . . . . 0.0 111.284 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -121.28 143.04 15.83 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.28 157.5 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.845 0.322 . . . . 0.0 110.724 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -97.07 131.51 43.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.901 0.382 . . . . 0.0 110.858 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.33 178.34 7.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.654 176.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.31 138.44 54.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.917 0.389 . . . . 0.0 111.036 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -141.03 101.4 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.62 -103.18 2.51 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -177.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -129.49 1.44 5.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.071 0.462 . . . . 0.0 110.084 174.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -103.09 144.75 30.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.823 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.24 124.6 32.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.852 176.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -109.05 133.32 54.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.427 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.02 114.46 27.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.851 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.481 HD12 HD11 ' A' ' 106' ' ' LEU . 46.2 mt -94.55 111.52 25.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.07 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.417 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 97.5 m-85 -108.37 125.5 51.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 -178.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.484 ' HD2' HD12 ' A' ' 10' ' ' ILE . 76.1 ttt180 -101.16 100.13 12.54 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 87.1 Cg_endo -86.7 -38.71 0.08 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.589 2.193 . . . . 0.0 113.005 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 96.6 m-85 -90.1 164.32 14.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.764 0.316 . . . . 0.0 110.423 -178.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 2.1 t60 -79.71 -9.54 59.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.196 0.522 . . . . 0.0 110.284 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -100.57 -155.7 0.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.15 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -82.15 0.75 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.72 0.408 . . . . 0.0 111.822 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 46.2 mt-30 -70.57 106.07 3.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.847 0.356 . . . . 0.0 110.739 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 m -126.83 154.44 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.873 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -140.47 149.55 42.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.43 140.78 47.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.942 0.401 . . . . 0.0 111.244 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.2 pt -139.98 173.4 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.66 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.605 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 13.9 p -64.35 134.18 54.11 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.514 HD22 HG11 ' A' ' 53' ' ' VAL . 66.7 t30 -80.62 6.15 13.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.634 -172.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.1 129.86 61.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.638 ' HB2' HD23 ' A' ' 54' ' ' LEU . 5.1 t70 -92.08 114.46 62.2 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 169.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.55 -1.57 9.67 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.475 2.117 . . . . 0.0 113.862 -174.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -91.51 -58.47 2.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.967 0.413 . . . . 0.0 110.349 -178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -96.01 -5.24 41.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.094 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 65.97 54.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.485 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.492 ' OG ' ' HB3' ' A' ' 46' ' ' ASP . 13.1 p -102.53 129.77 49.17 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -12.27 60.02 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.514 HG11 HD22 ' A' ' 44' ' ' ASN . 13.7 m -128.69 123.94 60.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.235 -0.586 . . . . 0.0 112.171 175.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.638 HD23 ' HB2' ' A' ' 46' ' ' ASP . 74.6 mt -92.64 -18.06 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 166.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -65.2 -12.93 56.48 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.384 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 6.8 tpm_? -99.01 41.24 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.492 0.663 . . . . 0.0 109.849 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.55 164.63 24.61 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.662 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.4 149.28 21.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.845 0.355 . . . . 0.0 110.755 -173.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 16' ' ' GLU . 66.1 mt -94.92 117.5 38.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.037 177.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.76 130.49 55.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.498 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 62' ' ' HIS . 26.7 tt0 -77.34 171.64 14.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.884 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.423 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 17.4 t-80 -145.61 -85.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 174.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.415 ' C ' ' H ' ' A' ' 65' ' ' GLU . 14.9 mm100 -129.49 76.06 1.7 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.77 -18.84 6.83 Favored Glycine 0 CA--C 1.517 0.216 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.725 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 63' ' ' GLN . 4.4 mt-10 -88.69 142.52 27.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.333 -0.434 . . . . 0.0 109.838 -177.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 95.2 mt -112.42 106.99 15.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.201 0.524 . . . . 0.0 109.726 174.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -96.63 148.67 22.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.02 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 8.2 p -98.84 127.5 51.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 171.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -112.32 123.78 51.03 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.945 -176.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.3 m -78.01 113.55 34.15 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.898 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.05 -6.81 16.94 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.865 2.377 . . . . 0.0 112.959 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.436 HD13 ' H ' ' A' ' 72' ' ' LEU . 6.1 mp -63.8 -37.37 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.004 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.923 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 4.8 mmpt? -146.46 -99.27 0.09 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.34 175.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -150.04 14.69 0.82 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.463 ' OE1' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -73.76 127.24 32.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.396 -175.203 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 76' ' ' ARG . 55.4 mtt180 -113.97 128.59 56.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.264 173.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.444 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 61.7 m-85 -116.68 126.99 54.0 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -83.85 115.43 22.25 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.48 -22.71 63.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.337 -172.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -60.31 -57.46 12.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.334 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.69 -28.31 12.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.383 -175.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.63 20.58 36.98 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -168.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' A' ' 88' ' ' GLU . 7.3 tp -84.18 141.04 31.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.775 -0.712 . . . . 0.0 110.774 -177.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.656 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 41.0 m -85.21 146.02 27.3 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 172.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.4 ttt -57.78 -72.07 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.525 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -92.79 -25.58 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.165 0.507 . . . . 0.0 110.961 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.509 ' HB3' ' HD2' ' A' ' 90' ' ' PHE . 18.7 m-20 -85.0 10.5 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.277 -177.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' HB2' HD13 ' A' ' 83' ' ' LEU . 10.0 pt-20 -37.03 -35.05 0.09 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -176.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.36 -21.86 66.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.749 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.509 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 31.1 m-85 -93.96 -72.39 0.61 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.656 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 70.5 m 61.89 176.32 0.12 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.157 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.605 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 35.4 m -121.98 172.88 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.08 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' A' ' 95' ' ' TYR . 7.6 ttpm? -85.57 131.6 34.33 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -88.68 143.45 26.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.068 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.444 ' CE1' ' HE2' ' A' ' 93' ' ' LYS . 66.6 m-85 -119.16 126.98 52.87 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.0 125.82 28.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.697 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -125.45 139.68 53.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.103 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -152.3 165.49 34.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.076 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.2 t -97.28 116.84 40.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.208 0.527 . . . . 0.0 110.839 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.458 ' HZ1' ' HB3' ' A' ' 100' ' ' LYS . 2.1 ttpm? -117.92 110.9 18.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.448 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 60.32 28.1 17.69 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 122.163 0.982 . . . . 0.0 109.59 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.59 -5.31 83.82 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.108 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.7 t -100.86 135.48 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.916 0.358 . . . . 0.0 110.474 -176.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.494 HG22 HD13 ' A' ' 13' ' ' ILE . 43.7 t -74.43 118.64 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.319 177.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.529 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 11.8 mm100 -100.9 142.78 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.507 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 30' ' ' ILE . 35.3 mt -122.92 124.71 43.82 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.468 0.48 . . . . 0.0 111.372 176.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.529 ' HG3' ' HA ' ' A' ' 2' ' ' SER . 9.3 ttp180 -115.71 123.11 47.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 172.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -116.35 165.9 12.31 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.002 -1.094 . . . . 0.0 112.796 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.51 -121.79 5.54 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.524 -0.631 . . . . 0.0 111.524 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.25 1.103 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.912 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.348 0.594 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.64 41.17 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.998 -175.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -66.75 97.58 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.816 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.495 ' CE2' ' HD3' ' A' ' 107' ' ' ARG . 86.1 m95 -70.4 99.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -93.15 117.46 30.09 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.88 106.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.874 170.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.45 HD11 ' HB3' ' A' ' 21' ' ' ALA . 43.4 mm -80.99 -70.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.292 0.568 . . . . 0.0 110.644 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 t -159.15 169.53 23.98 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HG2' HG21 ' A' ' 103' ' ' VAL . 96.0 mttt -83.11 151.27 25.82 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.05 0.452 . . . . 0.0 110.528 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tp -66.24 -7.86 6.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.51 0.672 . . . . 0.0 110.551 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.35 -22.05 61.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.539 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.31 -38.83 13.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.083 0.468 . . . . 0.0 110.922 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.632 HD12 HG22 ' A' ' 104' ' ' VAL . 39.7 mt -81.39 99.09 4.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.244 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.1 166.03 48.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.626 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.37 142.27 88.66 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 60.2 28.25 17.82 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.423 0.689 . . . . 0.0 111.458 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -118.79 126.82 52.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.021 0.439 . . . . 0.0 111.231 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.538 ' HA2' ' HA ' ' A' ' 31' ' ' PHE . . . -105.46 134.79 12.24 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 171.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.09 172.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.902 0.351 . . . . 0.0 111.369 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.59 112.34 24.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.311 0.576 . . . . 0.0 111.007 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB1' ' HB ' ' A' ' 28' ' ' VAL . . . -103.12 117.89 35.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.455 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.69 107.9 17.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.906 0.384 . . . . 0.0 110.604 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.722 ' HG ' ' HB2' ' A' ' 110' ' ' SER . 47.4 tp -107.82 101.97 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 174.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.3 -102.75 1.21 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -172.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -129.37 0.58 5.08 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 171.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.93 122.46 32.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.251 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -80.99 118.62 22.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.952 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.528 ' HB ' ' HB1' ' A' ' 21' ' ' ALA . 44.8 t -99.47 132.05 45.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.026 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -99.48 107.72 19.99 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -100.56 103.79 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.967 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.538 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 88.9 m-85 -96.6 124.51 40.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.243 -177.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -98.43 99.71 7.86 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 166.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.439 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 48.6 Cg_endo -93.41 -1.61 3.35 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 123.072 2.515 . . . . 0.0 113.62 -173.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -128.22 175.96 8.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.404 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -83.61 -9.42 58.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.372 0.606 . . . . 0.0 109.573 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 p -88.92 -169.52 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.629 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -91.78 20.26 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 111.327 -177.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.409 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 17.7 mm100 -77.49 114.33 16.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.102 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 m -125.03 139.3 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.889 0.376 . . . . 0.0 110.539 -178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -124.26 124.01 41.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.07 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -108.71 124.37 50.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.406 -176.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.5 pt -130.14 -172.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.104 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.9 m -71.35 125.06 25.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.496 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 65.7 t30 -78.37 -24.57 46.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.035 0.445 . . . . 0.0 110.768 -176.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.3 mm -107.61 131.42 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.347 177.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.699 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 9.6 t70 -68.22 132.12 91.8 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.388 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 9.4 Cg_endo -91.58 -47.81 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.349 2.7 . . . . 0.0 114.13 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' HB2' ' OD2' ' A' ' 87' ' ' ASP . 72.5 t80 -69.96 -47.04 63.88 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.325 0.583 . . . . 0.0 111.404 -173.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -98.37 -27.56 14.04 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.19 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.699 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 39.4 tt0 67.61 111.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.698 -176.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.509 ' N ' ' HB3' ' A' ' 46' ' ' ASP . 18.9 m -145.98 -177.03 5.38 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.47 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 m -86.92 -162.19 0.76 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.781 0.324 . . . . 0.0 110.829 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.37 140.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.928 -174.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.2 mt -86.29 -3.69 59.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.192 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t -62.07 -19.82 63.34 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.087 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -104.42 40.56 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.67 0.747 . . . . 0.0 109.905 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.43 164.57 24.58 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.488 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -97.33 146.18 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.009 0.433 . . . . 0.0 111.106 -171.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -101.08 122.32 53.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.295 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.95 -178.01 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.463 ' HG3' HD22 ' A' ' 66' ' ' LEU . 33.6 tt0 -118.78 139.95 50.75 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.668 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.472 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 27.6 t-80 -76.97 -60.26 2.43 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 7.3 tt0 170.41 81.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.446 -1.252 . . . . 0.0 107.656 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.32 -51.83 0.78 Allowed Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -171.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -96.43 145.7 25.43 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.76 0.314 . . . . 0.0 111.024 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD22 ' HG3' ' A' ' 61' ' ' GLU . 89.9 mt -94.36 138.86 31.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.994 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.435 ' HZ3' ' HB2' ' A' ' 85' ' ' MET . 14.1 m95 -127.75 146.2 50.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.212 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 9.3 p -96.85 134.72 33.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.039 0.447 . . . . 0.0 110.524 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -106.76 127.02 53.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.213 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 73' ' ' LYS . 15.2 t -87.49 127.13 59.74 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.856 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -85.34 -6.31 9.17 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.749 2.3 . . . . 0.0 111.224 171.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.9 mt -75.91 -46.57 29.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 70' ' ' SER . 0.1 OUTLIER -147.37 134.86 20.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 171.227 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -61.65 100.83 0.16 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.104 0.478 . . . . 0.0 110.442 -176.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.402 HE21 ' HG3' ' A' ' 86' ' ' GLU . 35.2 tt0 -168.33 153.27 6.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -174.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -127.44 143.47 51.2 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.423 0.63 . . . . 0.0 112.462 -174.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.468 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 32.4 m-85 -121.24 138.98 53.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.876 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.769 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 73.1 ttt180 -76.61 120.38 21.72 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 68' ' ' VAL . 90.1 mt -73.8 -47.77 36.39 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -176.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -45.26 84.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.09 0.471 . . . . 0.0 111.663 -175.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.769 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 5.7 t70 -106.84 -48.17 3.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.978 -172.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 92' ' ' VAL . . . 118.71 -3.43 15.05 Favored Glycine 0 C--N 1.323 -0.193 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.004 -178.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 88' ' ' GLU . 24.8 tp -58.41 101.91 0.1 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.496 -0.352 . . . . 0.0 111.656 175.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 26.1 t -74.43 126.02 29.81 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 167.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.435 ' HB2' ' HZ3' ' A' ' 67' ' ' TRP . 11.8 ttt -62.62 -26.93 68.87 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.741 -0.383 . . . . 0.0 111.976 -170.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' HG3' HE21 ' A' ' 75' ' ' GLN . 49.1 mm-40 -92.55 -11.13 35.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 111.642 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.473 ' OD2' ' HB2' ' A' ' 48' ' ' PHE . 9.0 t0 -106.91 10.71 30.48 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 17.2 tt0 -34.17 -36.65 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -172.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -61.37 -47.03 87.72 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -114.89 -38.49 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.539 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 42.7 m 71.68 -176.4 0.19 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.117 0.567 . . . . 0.0 111.01 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 82' ' ' GLY . 15.3 m -99.23 174.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.783 0.325 . . . . 0.0 110.604 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -85.25 109.56 18.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -86.89 121.69 29.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.925 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -96.31 164.47 12.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.699 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -100.88 113.15 25.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.552 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -120.67 142.67 49.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.549 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -147.04 151.5 37.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.17 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.3 t -96.06 92.36 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.15 0.5 . . . . 0.0 110.158 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -94.68 113.61 25.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.014 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 62.66 18.25 10.42 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.265 0.353 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.86 5.07 63.01 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.153 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.512 HG21 ' HG2' ' A' ' 9' ' ' LYS . 67.4 t -111.29 126.69 68.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.744 0.307 . . . . 0.0 110.518 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.632 HG22 HD12 ' A' ' 13' ' ' ILE . 20.8 t -77.65 112.42 15.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.465 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 75.0 mt-30 -102.57 138.85 38.93 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.048 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.421 HD12 HD22 ' A' ' 23' ' ' LEU . 2.6 tm? -118.49 126.41 51.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.392 -176.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.495 ' HD3' ' CE2' ' A' ' 4' ' ' TRP . 6.5 ttp180 -117.98 136.64 53.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.922 174.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -149.38 -100.97 0.23 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.438 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.73 50.56 0.17 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.722 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 5.0 m . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.81 -0.614 . . . . 0.0 109.696 -175.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.587 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 50.4 m -131.82 -21.28 2.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.25 -177.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 61.65 45.27 8.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.672 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -70.05 107.77 3.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.998 174.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -97.61 123.96 41.7 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.044 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.4 136.71 53.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 mm -102.89 -67.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.23 0.538 . . . . 0.0 109.779 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 p -158.46 -175.66 5.45 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 62.4 mttm -83.04 149.46 26.93 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.663 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 99' ' ' VAL . 18.1 tt -71.1 -18.12 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.283 0.563 . . . . 0.0 110.465 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.26 -29.32 70.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.18 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.97 -24.59 63.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.97 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 mt -103.58 106.0 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.157 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.27 158.25 88.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.013 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.71 142.44 98.61 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.255 1.97 . . . . 0.0 111.302 174.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 70.09 24.48 5.0 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.827 0.704 . . . . 0.0 110.96 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -120.68 143.96 48.45 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.002 0.429 . . . . 0.0 111.27 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.09 143.7 15.29 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.03 175.11 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.709 0.29 . . . . 0.0 111.122 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -109.76 143.35 39.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.378 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.01 160.56 39.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.636 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.2 122.56 46.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.953 0.406 . . . . 0.0 110.995 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 tt -122.78 102.88 8.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.4 -100.76 0.83 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.405 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -123.77 -7.73 7.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.163 0.506 . . . . 0.0 109.965 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -93.06 129.12 39.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.893 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -81.57 122.61 27.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.768 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -111.25 138.47 39.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.227 -174.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.31 116.22 32.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.188 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.422 HD12 HD11 ' A' ' 106' ' ' LEU . 61.0 mt -98.86 115.14 38.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.172 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -111.97 124.77 53.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.359 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -111.74 100.01 46.91 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HB2' HD12 ' A' ' 66' ' ' LEU . 55.8 Cg_endo -89.47 -35.72 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.539 2.159 . . . . 0.0 112.93 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -89.89 168.17 12.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.166 0.507 . . . . 0.0 111.313 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -86.09 -17.23 35.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.787 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 m -72.34 -171.79 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.588 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -89.07 5.26 45.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.025 0.441 . . . . 0.0 110.766 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -78.46 109.38 12.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.051 0.453 . . . . 0.0 110.768 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -115.35 160.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.205 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -128.44 133.82 48.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.777 0.322 . . . . 0.0 110.407 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.81 119.96 33.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.178 0.513 . . . . 0.0 111.167 -176.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.5 pt -124.77 175.3 7.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.679 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.0 t -62.77 133.98 55.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.591 HD22 HG12 ' A' ' 53' ' ' VAL . 67.0 t30 -89.33 -4.15 58.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.164 0.507 . . . . 0.0 110.563 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.34 124.98 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -175.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.75 ' HB2' HD23 ' A' ' 54' ' ' LEU . 6.1 t70 -89.29 126.01 59.99 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.872 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 2.9 Cg_endo -86.9 -8.41 6.83 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.089 2.526 . . . . 0.0 113.367 -177.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -85.39 -51.68 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.653 0.264 . . . . 0.0 111.032 -174.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 97.3 m-85 -105.47 -1.23 25.17 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 42.6 mt-10 62.1 60.19 1.53 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.306 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.556 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 47.6 t -102.23 143.15 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.769 -177.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 p -81.52 -23.38 37.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.996 -175.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.591 HG12 HD22 ' A' ' 44' ' ' ASN . 16.6 m -128.52 124.05 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.391 0.615 . . . . 0.0 112.456 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.75 HD23 ' HB2' ' A' ' 46' ' ' ASP . 63.5 mt -92.48 -12.82 31.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.999 168.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 p -71.04 -1.59 12.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.859 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -93.75 40.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.74 164.69 24.67 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.853 -176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.68 144.91 28.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.689 0.28 . . . . 0.0 111.014 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.7 mt -90.14 127.72 42.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.156 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.38 139.16 28.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -89.37 135.26 33.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.625 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -88.53 -71.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -150.28 97.51 2.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.826 175.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.73 -46.93 3.56 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.722 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -88.87 138.67 31.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 33' ' ' PRO . 90.3 mt -88.67 130.69 35.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.419 178.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 76' ' ' ARG . 35.1 m95 -118.81 159.7 23.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.106 -177.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 p -115.48 134.4 58.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -109.99 116.66 31.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.043 0.449 . . . . 0.0 111.257 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.513 ' HB3' ' HB2' ' A' ' 75' ' ' GLN . 40.5 t -85.11 124.24 72.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.077 177.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 5.0 Cg_exo -75.48 5.66 4.08 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.304 2.67 . . . . 0.0 113.0 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.72 -56.01 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.299 . . . . 0.0 110.55 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 32.7 tptt -146.65 27.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.914 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt 64.62 61.8 0.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.83 0.824 . . . . 0.0 110.199 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 70' ' ' SER . 29.8 mt-30 -99.87 130.48 46.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.179 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.443 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 13.4 ttm180 -119.07 123.13 43.7 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.477 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -115.01 149.21 37.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.083 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.483 ' NH2' HD22 ' A' ' 83' ' ' LEU . 53.3 ttp180 -94.12 122.05 36.25 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.41 -8.77 57.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.059 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.3 m -58.46 -30.73 67.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 111.167 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -147.63 -70.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.103 0.478 . . . . 0.0 110.067 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.11 42.17 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.517 HD23 ' HG3' ' A' ' 88' ' ' GLU . 6.4 tp -101.99 149.52 24.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.291 -0.454 . . . . 0.0 110.42 -174.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 42.1 t -96.86 149.71 21.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -63.01 1.45 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.693 0.282 . . . . 0.0 111.019 -175.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -88.07 -32.48 18.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.218 0.532 . . . . 0.0 110.694 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 3.3 t0 -81.08 10.71 4.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.288 -175.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.517 ' HG3' HD23 ' A' ' 83' ' ' LEU . 42.0 tt0 -34.2 -38.69 0.07 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.218 1.007 . . . . 0.0 113.405 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.83 -41.49 87.02 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.422 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -137.96 83.91 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.5 . . . . 0.0 109.898 -177.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -97.91 -164.55 1.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.536 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -93.11 178.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.259 0.552 . . . . 0.0 112.099 -173.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -88.09 134.6 33.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.944 -174.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -105.8 127.86 53.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.261 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -106.65 146.72 30.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -80.72 137.47 36.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.58 148.61 50.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.709 0.29 . . . . 0.0 111.166 -177.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -146.68 158.97 44.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.942 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.425 HG22 HD12 ' A' ' 10' ' ' ILE . 95.2 t -114.14 110.39 31.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.195 0.521 . . . . 0.0 109.857 175.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -116.35 116.34 27.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.129 -176.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 61.73 25.64 15.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.283 0.564 . . . . 0.0 109.976 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.66 8.06 80.73 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.611 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.471 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 24.4 t -109.76 132.2 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.979 0.39 . . . . 0.0 110.552 -177.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.89 115.24 20.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -112.71 137.64 50.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.422 HD11 HD12 ' A' ' 30' ' ' ILE . 83.1 mt -112.77 138.84 48.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.022 0.439 . . . . 0.0 111.27 -177.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.587 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 33.4 ttt-85 -123.28 141.98 51.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.483 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.51 -72.75 0.21 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.168 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 74.73 -158.54 51.48 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -176.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.15 179.005 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -71.54 107.72 4.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.926 0.393 . . . . 0.0 111.708 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.555 HE22 HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -144.06 114.26 7.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.199 0.523 . . . . 0.0 110.587 172.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -67.17 116.52 8.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.092 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 36.0 mmtm -97.5 123.56 41.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.045 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.27 100.45 5.1 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.6 mm -85.75 -82.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.467 0.651 . . . . 0.0 110.906 -174.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 81.8 m -146.64 -165.27 2.19 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 6.3 mtpm? -100.14 159.19 15.3 Favored 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.925 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.9 tt -72.27 -10.3 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.73 0.776 . . . . 0.0 109.578 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.79 -19.87 61.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.965 175.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -81.94 -18.08 44.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.929 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 mt -113.61 125.95 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.984 0.421 . . . . 0.0 110.681 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 88.5 mt -89.04 165.9 24.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.664 -177.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 19.9 Cg_endo -61.43 132.88 43.01 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.218 1.945 . . . . 0.0 111.638 174.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' OE1' ' HB2' ' A' ' 15' ' ' PRO . 2.7 mp0 60.71 42.45 13.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.809 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -135.08 157.51 46.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.678 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.46 143.82 15.6 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.174 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -123.59 169.8 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.506 0.193 . . . . 0.0 110.59 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.1 m -109.03 129.23 55.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.656 0.265 . . . . 0.0 110.49 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.46 155.22 47.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.731 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.16 112.11 23.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.984 0.421 . . . . 0.0 110.886 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD21 HE22 ' A' ' 3' ' ' GLN . 10.1 tt -106.98 96.99 6.83 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.09 -100.41 0.64 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.348 -0.929 . . . . 0.0 110.816 -173.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -122.99 6.97 9.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 171.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.719 ' HG3' ' HA2' ' A' ' 109' ' ' GLY . 42.3 mm-40 -84.8 115.03 22.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.199 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -80.07 102.42 9.3 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.428 HG12 HD13 ' A' ' 106' ' ' LEU . 42.1 t -106.33 137.35 37.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.079 -172.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . . . -104.33 112.68 25.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.681 175.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.423 HD11 HD12 ' A' ' 106' ' ' LEU . 43.0 mt -90.76 107.69 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.73 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.23 129.62 48.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -104.25 99.86 19.12 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 167.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 75.5 Cg_endo -89.74 -29.81 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.84 2.36 . . . . 0.0 112.946 -176.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -99.77 155.97 17.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -72.82 -16.31 61.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.309 0.576 . . . . 0.0 110.145 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -90.11 -153.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.169 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -85.97 0.74 52.48 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.618 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 9.2 tt0 -78.48 102.97 8.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.484 -175.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -119.08 156.67 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.52 135.55 40.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.077 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.86 131.93 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.819 0.342 . . . . 0.0 110.83 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.7 pt -138.31 178.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.678 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -67.9 132.2 46.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.613 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 28.5 p-10 -81.23 -17.4 49.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.948 -176.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.4 mt -111.61 117.29 54.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.001 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.74 ' HB3' ' HZ ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -70.57 133.76 86.73 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.467 175.683 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 16.6 Cg_exo -67.93 -49.85 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.437 2.758 . . . . 0.0 114.453 -169.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -91.59 -39.72 11.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.146 0.498 . . . . 0.0 110.353 -173.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.674 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 7.5 t80 -74.46 -29.42 61.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.313 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 59.59 59.88 2.43 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 173.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.425 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 3.9 m -102.9 161.91 13.36 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 168.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -93.29 -48.81 6.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.55 124.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.501 ' HA ' ' HG ' ' A' ' 70' ' ' SER . 61.5 mt -92.31 -19.51 22.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.85 170.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 m -64.22 -27.16 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.093 -174.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.33 40.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.832 0.349 . . . . 0.0 110.749 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.67 164.58 24.65 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.608 ' H ' HD21 ' A' ' 58' ' ' LEU . 2.6 pt? -91.33 151.9 20.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.978 0.418 . . . . 0.0 110.887 -175.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -106.51 120.66 58.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.46 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -123.65 152.48 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.839 0.352 . . . . 0.0 111.211 -176.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -85.1 126.06 33.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.891 177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -85.39 -76.19 0.33 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.273 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -132.15 11.84 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.436 0.636 . . . . 0.0 109.386 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.21 -30.43 1.75 Allowed Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.873 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.05 149.01 21.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 97.8 mt -93.53 122.87 36.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.158 0.504 . . . . 0.0 111.121 -177.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -111.97 132.77 54.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.978 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.51 137.29 24.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -129.37 117.99 21.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.501 ' HG ' ' HA ' ' A' ' 54' ' ' LEU . 17.1 m -82.49 138.4 44.59 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.946 177.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.3 Cg_exo -72.82 21.86 0.31 Allowed 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.609 2.873 . . . . 0.0 113.456 -175.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.44 -84.17 0.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.711 0.291 . . . . 0.0 110.226 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -112.31 26.76 10.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.749 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt 63.73 30.33 14.71 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.741 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 4.2 pt20 -63.49 142.21 58.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.092 -178.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -123.5 121.44 35.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.558 -172.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.74 ' HZ ' ' HB3' ' A' ' 46' ' ' ASP . 42.4 m-85 -123.34 131.9 53.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 111.181 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -88.46 104.69 17.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.075 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.18 -22.88 66.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.301 -174.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -58.43 -49.03 78.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.558 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -126.82 -8.52 6.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.482 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.78 12.22 53.55 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.992 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -75.21 136.01 41.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.665 -0.315 . . . . 0.0 110.733 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 87' ' ' ASP . 51.9 t -97.09 153.76 17.75 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -44.03 16.24 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -77.41 -46.38 22.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.554 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 5.1 m-20 -87.19 9.97 18.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.357 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -34.04 -47.34 0.27 Allowed 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -166.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -61.78 -31.46 71.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.231 0.469 . . . . 0.0 111.853 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -104.15 -58.08 1.94 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.18 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.9 m 62.87 -172.78 0.16 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.576 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.95 167.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.104 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 33.1 mmtm -83.37 130.9 35.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.188 0.518 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -84.94 112.48 20.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.518 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.518 ' CD1' ' HA3' ' A' ' 108' ' ' GLY . 31.1 m-85 -98.95 138.62 35.8 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -79.78 115.72 19.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.278 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.05 131.44 55.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.129 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -131.82 159.59 38.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.546 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.7 t -106.76 97.15 5.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.796 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -95.63 106.04 18.1 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.286 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.8 t70 66.46 3.38 2.82 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.41 0.624 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.03 4.39 25.89 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.907 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.546 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 67.2 t -104.84 137.72 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.5 t -82.37 116.21 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 63.9 mt-30 -114.7 132.76 56.3 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.504 175.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.428 HD13 HG12 ' A' ' 28' ' ' VAL . 93.9 mt -108.87 136.94 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.322 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -122.58 113.89 19.89 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 172.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.518 ' HA3' ' CD1' ' A' ' 95' ' ' TYR . . . -179.41 -158.83 22.4 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.071 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.719 ' HA2' ' HG3' ' A' ' 26' ' ' GLU . . . 101.0 175.02 29.14 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.4 m . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.7 -0.667 . . . . 0.0 109.951 177.352 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.64 0.257 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.501 ' HB3' ' HD3' ' A' ' 107' ' ' ARG . 15.0 m -131.59 82.13 2.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.943 0.402 . . . . 0.0 110.252 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -78.4 84.6 4.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.003 0.43 . . . . 0.0 110.001 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 98.7 m95 -69.52 101.97 1.72 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.443 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -83.27 110.56 18.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.702 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.807 ' HB3' HE21 ' A' ' 105' ' ' GLN . 7.9 p-10 -75.7 123.85 26.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.214 0.53 . . . . 0.0 110.044 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 mm -93.59 -78.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.349 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.4 m -142.53 -168.44 2.74 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 63.5 mttp -88.93 157.84 18.27 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.562 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 tp -70.26 -11.74 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.6 0.714 . . . . 0.0 109.804 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -74.93 -28.6 60.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.9 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.34 -34.81 78.81 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.219 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.47 HD13 HG23 ' A' ' 104' ' ' VAL . 22.6 mt -104.03 92.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.133 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.774 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -70.98 167.13 31.41 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.35 178.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HB3' ' HD1' ' A' ' 35' ' ' HIS . 73.9 Cg_exo -52.06 141.5 47.36 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.571 2.181 . . . . 0.0 112.873 178.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' OE2' ' HE1' ' A' ' 35' ' ' HIS . 1.4 mp0 54.51 46.71 24.32 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.538 -178.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.648 ' OG1' ' HG ' ' A' ' 14' ' ' LEU . 33.7 m -132.14 136.63 47.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.045 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -121.45 126.83 6.67 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.69 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 m -116.76 152.05 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.975 0.416 . . . . 0.0 110.942 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 p -94.74 120.32 34.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.82 167.78 17.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.97 138.2 52.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.22 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 tt -125.42 95.04 4.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.4 -89.01 0.61 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.622 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -128.03 -8.87 5.41 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 149.9 21.72 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.123 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.45 107.11 19.24 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.476 HG12 HD12 ' A' ' 106' ' ' LEU . 38.6 t -108.82 128.68 64.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.058 0.456 . . . . 0.0 111.107 -172.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.501 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -96.32 121.14 37.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.626 176.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.438 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 28.5 mt -100.82 120.15 49.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.508 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 81.2 m-85 -121.12 120.55 35.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.832 -174.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -97.71 99.9 7.45 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 66.1 Cg_endo -90.87 1.92 4.82 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.201 2.601 . . . . 0.0 113.487 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -133.58 177.08 7.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.957 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' HE1' ' OE2' ' A' ' 16' ' ' GLU . 3.3 m-70 -89.82 -8.04 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.6 p -88.66 -159.62 0.58 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.36 -176.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -90.81 8.29 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.136 -176.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -84.04 118.89 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.971 -177.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.71 145.41 35.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.4 ' CD2' ' HG3' ' A' ' 33' ' ' PRO . 34.3 m-85 -121.01 153.19 37.67 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB3' ' HB2' ' A' ' 95' ' ' TYR . . . -131.12 135.66 47.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.606 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.6 pt -140.17 178.08 3.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.122 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.9 m -59.98 128.0 34.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.501 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 55.7 t30 -83.1 -31.23 27.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.305 -0.407 . . . . 0.0 112.032 -173.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 51' ' ' SER . 36.8 mm -93.55 139.3 18.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' OD2' ' HB2' ' A' ' 51' ' ' SER . 9.9 m-20 -57.14 105.83 0.59 Allowed Pre-proline 0 N--CA 1.468 0.459 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 172.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 35.1 Cg_exo -57.34 -65.28 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 123.254 2.636 . . . . 0.0 113.552 -166.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -88.94 -10.74 46.64 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.856 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 5.8 t80 -94.17 -18.64 21.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.097 -176.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 67.68 35.32 4.08 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.817 0.447 . . . . 0.0 111.929 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.563 ' O ' HG22 ' A' ' 45' ' ' ILE . 67.6 m -102.4 -165.78 1.22 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.955 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -92.44 -151.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.165 0.507 . . . . 0.0 111.834 -171.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 m -76.16 135.29 27.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.518 -172.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 58.2 mt -74.92 -10.35 59.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.396 176.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -66.75 -14.37 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.765 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 51.8 ttm-85 -97.39 40.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.578 0.704 . . . . 0.0 109.31 175.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.84 164.66 24.7 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.843 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.663 ' H ' HD21 ' A' ' 58' ' ' LEU . 2.5 pt? -99.85 151.7 20.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.823 0.344 . . . . 0.0 111.033 -175.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.6 mt -104.43 121.05 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.754 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -125.51 139.21 53.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.163 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -86.9 129.19 34.98 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.008 0.432 . . . . 0.0 110.693 -177.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -77.64 -56.34 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 5.9 tp60 176.31 86.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.78 -32.02 3.52 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.527 -172.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.85 139.1 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.347 0.259 . . . . 0.0 110.351 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.71 114.77 29.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.899 0.38 . . . . 0.0 110.463 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -110.39 144.07 39.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.421 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.33 143.18 22.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.26 128.49 41.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.799 0.333 . . . . 0.0 111.518 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 p -82.83 119.64 74.81 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.794 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.65 2.35 2.52 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.93 2.42 . . . . 0.0 113.01 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 51' ' ' SER . 6.6 mp -77.29 -30.27 54.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.205 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.485 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 62.3 tttp -136.75 -16.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.646 175.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 67.82 42.37 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.013 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -87.25 142.68 27.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.367 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -99.49 121.54 41.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.979 0.418 . . . . 0.0 111.749 -174.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -115.05 123.42 48.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.466 178.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -87.49 100.62 12.9 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.08 -11.11 46.47 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.25 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -64.56 -48.68 74.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 19.0 p-10 -118.66 -28.73 5.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.338 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 91' ' ' SER . . . 108.71 13.6 18.05 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.426 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.0 tp -83.77 137.6 33.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.991 0.424 . . . . 0.0 111.287 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 38.6 m -102.36 133.66 46.92 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 172.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 23.1 ttt -71.94 -30.3 65.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.947 0.403 . . . . 0.0 111.234 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -92.58 -32.3 14.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.345 0.593 . . . . 0.0 110.749 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.476 ' HB3' ' HB2' ' A' ' 84' ' ' CYS . 20.1 t70 -106.74 10.44 30.87 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.567 -169.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -36.9 -32.77 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -171.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.24 -35.42 73.65 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.221 0.464 . . . . 0.0 111.162 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -111.46 -61.26 1.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.681 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.646 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 47.2 m 63.24 -169.12 0.19 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.731 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.0 m -106.75 163.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -92.46 139.69 30.33 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.406 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 36.8 t-80 -87.42 134.07 33.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.994 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.495 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 63.3 m-85 -118.51 145.0 45.65 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 175.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.52 142.88 27.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.887 0.375 . . . . 0.0 110.816 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.03 151.18 51.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -144.17 156.73 44.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.7 t -105.45 102.06 13.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -93.54 106.92 18.84 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 p30 47.79 24.98 0.64 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.02 0.928 . . . . 0.0 112.595 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.26 -9.02 26.81 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.994 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 11.7 t -101.18 132.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.941 0.37 . . . . 0.0 110.774 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.47 HG23 HD13 ' A' ' 13' ' ' ILE . 22.2 t -80.0 121.37 33.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.42 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.807 HE21 ' HB3' ' A' ' 6' ' ' ASP . 74.2 mt-30 -120.18 136.53 54.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.732 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.476 HD12 HG12 ' A' ' 28' ' ' VAL . 81.5 mt -112.67 137.68 50.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.305 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.501 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 60.4 ttp85 -115.39 106.16 13.67 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -154.24 -172.49 22.23 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.176 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.55 -155.17 26.02 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.254 1.328 0 CA-C-O 118.751 -0.643 . . . . 0.0 109.9 179.281 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 121.087 0.47 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.583 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 0.3 OUTLIER -148.94 102.83 3.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.534 174.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.571 ' NE2' ' HA ' ' A' ' 110' ' ' SER . 6.3 tt0 -115.33 101.13 8.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.95 177.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.582 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 96.1 m95 -75.48 83.68 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 171.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -78.97 134.56 36.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.545 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -73.25 140.25 46.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.0 mm -113.38 -71.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.19 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.5 m -144.4 173.64 11.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.724 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -90.04 136.95 32.73 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.417 HD11 HG23 ' A' ' 99' ' ' VAL . 15.6 tt -65.92 -16.14 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.031 0.444 . . . . 0.0 111.324 -174.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -25.26 64.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.471 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -82.29 -33.53 29.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.115 0.483 . . . . 0.0 110.949 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.1 mt -85.55 105.77 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.71 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.41 165.78 47.95 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.691 ' HG3' ' HB3' ' A' ' 35' ' ' HIS . 44.9 Cg_exo -56.01 136.27 74.03 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.497 2.132 . . . . 0.0 112.279 176.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 63.5 43.58 5.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.526 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.6 m -129.94 140.59 50.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.297 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.09 143.71 15.8 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.991 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 m -124.37 160.11 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.781 0.324 . . . . 0.0 110.66 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -105.96 130.91 53.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.235 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.32 163.8 30.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 0.0 110.893 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 tt -117.97 121.96 42.01 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.84 93.08 4.32 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.63 -82.67 0.48 Allowed Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.908 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.3 -20.8 6.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.106 0.479 . . . . 0.0 111.254 -175.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -116.93 151.23 37.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.142 -170.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . 16.0 mm-40 -84.94 127.27 34.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.874 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.472 HG12 HD11 ' A' ' 106' ' ' LEU . 22.5 t -123.82 130.28 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.934 0.397 . . . . 0.0 110.702 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.468 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -102.27 124.63 48.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.076 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.453 HD13 HD13 ' A' ' 106' ' ' LEU . 51.0 mt -106.31 119.18 55.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.533 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 84.9 m-85 -113.47 128.13 56.34 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.336 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -105.56 100.06 24.58 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 171.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 55.7 Cg_endo -91.07 -24.88 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.954 2.436 . . . . 0.0 112.533 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.407 ' C ' ' H ' ' A' ' 36' ' ' SER . 92.0 m-85 -107.48 127.8 53.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.911 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.691 ' HB3' ' HG3' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -77.55 25.44 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 177.725 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 34' ' ' TYR . 53.7 m -104.55 -96.6 0.32 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.076 173.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -148.22 18.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.186 0.517 . . . . 0.0 110.824 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -105.25 116.44 31.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.529 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.94 151.65 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.791 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.59 148.17 44.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.451 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -134.81 129.24 34.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.809 0.338 . . . . 0.0 110.67 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.4 pt -136.24 -177.47 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.894 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.538 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 13.9 m -62.48 127.59 32.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.468 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 10.5 t30 -76.16 -28.68 57.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 51' ' ' SER . 38.8 mm -96.13 134.12 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.58 -176.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.615 ' OD1' ' HB2' ' A' ' 51' ' ' SER . 2.7 m-20 -58.54 122.27 59.31 Favored Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 171.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.86 -73.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.77 2.313 . . . . 0.0 113.366 -175.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.72 -25.64 18.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.625 0.25 . . . . 0.0 111.558 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -75.53 -28.38 59.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.396 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 61.62 95.19 0.04 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.435 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.615 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 75.0 m -148.97 173.8 12.96 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.439 ' O ' HD12 ' A' ' 45' ' ' ILE . 5.8 p -90.28 -51.47 5.42 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -170.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -128.96 124.46 60.99 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -171.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -92.31 -7.72 47.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.224 171.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.533 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 3.3 p -82.53 1.31 38.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.509 -174.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 mtp-105 -109.39 40.94 1.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.392 . . . . 0.0 110.828 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.69 164.66 24.66 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.662 ' H ' HD21 ' A' ' 58' ' ' LEU . 1.6 pt? -90.88 140.75 29.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.98 0.419 . . . . 0.0 111.364 -174.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 52.7 mt -96.5 125.74 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.753 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.25 152.7 51.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.966 0.412 . . . . 0.0 111.299 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.4 144.74 28.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 176.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -145.02 -19.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -169.99 28.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.923 0.392 . . . . 0.0 112.025 -173.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.39 13.51 61.5 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -134.17 142.56 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.828 0.347 . . . . 0.0 110.366 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.24 102.73 15.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.616 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -99.76 122.52 42.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.359 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.465 ' HB ' HD22 ' A' ' 79' ' ' LEU . 7.6 p -100.12 130.43 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -117.16 112.46 20.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.973 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.577 ' HB3' HD12 ' A' ' 72' ' ' LEU . 18.5 m -78.8 125.53 83.98 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.775 175.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.3 Cg_exo -73.43 10.16 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.245 2.63 . . . . 0.0 113.367 -174.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.577 HD12 ' HB3' ' A' ' 70' ' ' SER . 7.6 mp -65.47 -63.84 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 110.382 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -136.31 22.59 3.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.683 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.0 tttt 62.61 77.61 0.32 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.586 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.799 ' HG3' ' HE1' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -115.0 131.55 56.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.112 179.301 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -103.45 115.68 30.99 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.988 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.799 ' HE1' ' HG3' ' A' ' 75' ' ' GLN . 97.3 m-85 -118.21 133.16 56.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.259 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -91.51 92.1 8.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.465 HD22 ' HB ' ' A' ' 68' ' ' VAL . 3.3 pp -72.3 -12.57 61.2 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -172.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 p -74.87 -1.35 21.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.105 0.479 . . . . 0.0 110.859 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -149.79 -45.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.051 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.24 -17.79 8.45 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.923 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.1 tp -57.62 128.38 36.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.217 0.532 . . . . 0.0 111.274 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.1 m -103.95 124.61 49.3 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.6 ttt -67.06 -20.72 65.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.733 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -83.15 -46.88 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.23 0.538 . . . . 0.0 110.923 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -103.28 10.36 37.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.951 -170.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -34.02 -37.3 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.338 1.606 . . . . 0.0 115.338 -170.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.81 -25.08 62.82 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.982 0.42 . . . . 0.0 111.544 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -124.44 -57.36 1.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.928 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.2 m 65.49 177.05 0.21 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.013 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 43' ' ' SER . 34.5 m -91.36 167.31 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.072 176.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -92.59 127.16 37.99 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.982 0.42 . . . . 0.0 110.619 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -90.5 150.49 21.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.722 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -113.49 169.06 9.24 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -101.45 135.48 42.88 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -136.31 145.51 45.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.979 0.418 . . . . 0.0 111.846 -174.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.582 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 11.0 ptm180 -151.15 145.44 25.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.951 174.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.417 HG23 HD11 ' A' ' 10' ' ' ILE . 52.1 t -86.32 103.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.365 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.603 ' HB2' ' HG3' ' A' ' 105' ' ' GLN . 1.7 ttpm? -91.41 108.12 19.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.478 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 p30 52.7 18.78 1.08 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.829 0.851 . . . . 0.0 112.75 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.84 -8.94 27.66 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.661 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.3 t -101.85 134.94 40.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.6 118.54 20.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.479 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.603 ' HG3' ' HB2' ' A' ' 100' ' ' LYS . 6.2 mm100 -110.24 133.62 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.472 HD11 HG12 ' A' ' 28' ' ' VAL . 72.7 mt -117.44 134.81 54.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.693 0.282 . . . . 0.0 110.868 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.583 ' HE ' ' HB3' ' A' ' 2' ' ' SER . 34.9 ttt180 -111.11 120.95 44.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.985 174.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.3 -83.09 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -108.96 -136.36 7.66 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.724 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.571 ' HA ' ' NE2' ' A' ' 3' ' ' GLN . 53.9 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.916 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 121.56 0.695 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.871 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 2.4 m -146.39 63.63 1.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.549 ' O ' ' HA ' ' A' ' 107' ' ' ARG . 20.3 mp0 -58.38 108.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.893 -171.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.5 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 95.5 m95 -84.82 85.76 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 169.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -71.56 108.99 5.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.207 -178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.07 121.02 14.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.641 174.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.8 mm -96.76 -70.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.088 -175.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -154.22 -161.92 1.32 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HE2' ' OD1' ' A' ' 11' ' ' ASP . 47.9 mtpt -104.28 164.15 11.93 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.667 -176.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -73.28 -10.05 13.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.844 0.831 . . . . 0.0 108.969 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.492 ' OD1' ' HE2' ' A' ' 9' ' ' LYS . 2.5 m-20 -74.18 -36.26 64.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.528 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.51 -4.26 55.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.112 0.482 . . . . 0.0 110.637 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.58 HD12 HG22 ' A' ' 104' ' ' VAL . 35.6 mt -105.49 91.71 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.307 0.575 . . . . 0.0 109.55 173.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.98 146.04 97.49 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.35 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 46.4 Cg_exo -57.1 129.82 36.38 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.524 2.149 . . . . 0.0 112.036 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 15' ' ' PRO . 92.3 mt-10 75.54 32.81 0.69 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.041 0.838 . . . . 0.0 110.74 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -133.37 154.82 50.42 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.494 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.83 144.38 18.16 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.44 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -120.01 150.01 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.117 0.484 . . . . 0.0 111.248 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -88.16 115.0 25.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.002 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.81 166.75 15.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.826 0.346 . . . . 0.0 110.573 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 27' ' ' GLN . 96.8 mt -131.06 122.3 26.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.485 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.31 91.98 8.97 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 171.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.58 -90.57 0.75 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 -169.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.21 -10.04 5.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.67 0.271 . . . . 0.0 110.4 172.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -76.71 126.2 30.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 110.543 -176.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.694 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . 23.3 mp0 -69.13 116.48 9.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.249 -176.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.447 HG12 HD12 ' A' ' 106' ' ' LEU . 59.6 t -118.97 130.86 73.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.089 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -99.37 111.68 24.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.214 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.488 HD12 HD11 ' A' ' 106' ' ' LEU . 60.3 mt -95.31 109.7 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.001 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 98.6 m-85 -104.25 125.6 50.65 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -108.45 99.77 34.57 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 168.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.499 ' HB2' HD11 ' A' ' 66' ' ' LEU . 72.8 Cg_endo -92.89 -24.0 0.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.538 2.159 . . . . 0.0 112.689 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -99.35 159.87 14.69 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.051 0.453 . . . . 0.0 110.544 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -90.28 3.43 53.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.953 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -95.09 -173.84 3.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.949 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -86.15 69.81 10.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.624 0.25 . . . . 0.0 110.68 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -148.0 135.95 21.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.713 0.292 . . . . 0.0 110.585 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.0 m -138.13 153.68 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.344 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -120.58 129.88 53.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.873 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.55 119.62 35.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.16 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 93' ' ' LYS . 39.4 pt -130.78 -178.77 2.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.264 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 m -62.4 130.06 43.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.694 ' HB3' ' HB3' ' A' ' 27' ' ' GLN . 63.4 t30 -83.85 -18.7 36.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 111.142 -175.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.3 mm -116.24 140.89 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -68.8 122.51 85.2 Favored Pre-proline 0 N--CA 1.469 0.494 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.27 -55.94 0.84 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.99 2.46 . . . . 0.0 114.367 -172.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -91.3 -37.63 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.798 0.332 . . . . 0.0 111.823 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -79.34 -22.98 43.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.775 0.321 . . . . 0.0 110.333 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' OE1' ' HA ' ' A' ' 50' ' ' GLU . 5.6 mm-40 62.53 72.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.783 0.801 . . . . 0.0 110.798 -178.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.6 t -102.49 -165.85 1.22 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 174.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -106.3 -154.76 0.53 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.33 124.56 24.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.896 0.855 . . . . 0.0 111.049 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.1 mt -84.38 -16.1 44.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.208 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 5.2 p -68.27 -13.64 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.045 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -98.5 40.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.671 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.63 164.81 24.63 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.107 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.725 ' H ' HD21 ' A' ' 58' ' ' LEU . 1.9 pt? -86.76 137.09 32.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.962 0.41 . . . . 0.0 111.042 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.2 mt -97.83 119.44 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.887 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.33 141.16 43.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.912 0.387 . . . . 0.0 110.694 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' HG2' ' H ' ' A' ' 63' ' ' GLN . 42.0 tt0 -87.63 118.25 26.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.896 177.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -94.62 36.24 1.18 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.456 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 22.6 tp60 64.54 83.29 0.17 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.659 -177.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.36 -65.73 0.26 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.759 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -90.94 145.73 24.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.897 0.38 . . . . 0.0 110.495 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 33' ' ' PRO . 78.5 mt -106.66 125.2 50.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.658 -177.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -116.68 131.65 56.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.941 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.61 133.36 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -115.44 130.85 57.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.682 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.517 ' HB3' ' O ' ' A' ' 73' ' ' LYS . 33.3 t -82.32 137.07 45.68 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.119 179.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.428 ' HD2' HD13 ' A' ' 72' ' ' LEU . 5.3 Cg_exo -76.46 -19.22 15.1 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.922 2.415 . . . . 0.0 112.07 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.428 HD13 ' HD2' ' A' ' 71' ' ' PRO . 5.3 mp -78.62 -64.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 70' ' ' SER . 57.0 tptt -114.08 144.56 42.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 174.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -76.03 61.25 1.51 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.905 0.859 . . . . 0.0 110.995 -174.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.502 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -92.29 145.79 24.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.065 178.404 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.55 121.85 23.9 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 75' ' ' GLN . 33.5 m-85 -119.0 134.78 54.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 -177.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -84.66 113.88 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.5 -25.38 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.05 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m -57.71 -48.69 78.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.095 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -125.53 -19.57 4.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.74 15.24 37.61 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.221 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.6 tp -72.98 134.63 44.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.771 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 59.1 m -88.68 138.94 30.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.8 ttt -58.24 -70.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -92.85 -19.25 21.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.471 0.653 . . . . 0.0 110.838 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 2.7 m-20 -94.12 10.62 33.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.373 -175.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -34.04 -39.93 0.08 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -59.34 -28.5 66.89 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 111.638 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -119.16 41.63 3.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.448 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.771 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 68.1 m -60.91 163.8 5.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.116 0.484 . . . . 0.0 111.711 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.6 m -90.9 172.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.398 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 88.2 tttt -93.2 135.23 34.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 -176.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -95.34 119.38 33.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.055 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -95.37 146.53 24.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 17.6 mm-40 -80.71 107.26 13.37 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -177.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.04 142.82 46.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.578 -173.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.5 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 9.9 ptm180 -150.63 162.03 41.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.03 175.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.14 115.69 38.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -114.94 113.33 24.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.383 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 64.76 12.59 7.78 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.412 0.445 . . . . 0.0 110.887 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.72 5.49 57.62 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.047 -174.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.8 t -112.22 135.21 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.58 HG22 HD12 ' A' ' 13' ' ' ILE . 24.9 t -78.02 120.64 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.787 0.327 . . . . 0.0 111.201 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -108.7 133.4 52.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.182 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.488 HD11 HD12 ' A' ' 30' ' ' ILE . 68.3 mt -117.02 113.92 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.955 0.159 . . . . 0.0 110.83 176.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.871 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 36.7 ttp85 -96.69 109.47 22.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.963 0.411 . . . . 0.0 109.978 174.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -136.81 -70.1 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.072 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.58 105.28 0.23 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.058 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.256 -179.552 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' N ' ' A' ' 2' ' ' SER . 7.5 tmm? . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.727 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 67.3 m -61.56 98.64 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.958 0.409 . . . . 0.0 110.745 175.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -103.25 99.04 8.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.442 0.639 . . . . 0.0 110.644 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.449 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 67.3 m95 -63.85 109.95 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.674 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 78.6 tttt -82.2 128.15 33.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.81 120.87 23.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.331 0.586 . . . . 0.0 109.481 175.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -86.13 -67.33 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.077 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 t -157.95 171.31 20.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.545 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -76.79 143.58 39.74 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.465 HD12 HG23 ' A' ' 99' ' ' VAL . 14.2 tt -69.7 -7.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.36 0.6 . . . . 0.0 110.511 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.72 -19.81 61.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.607 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.12 -18.2 32.95 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.319 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mt -109.56 106.46 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.356 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.58 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 92.7 mt -73.39 167.86 30.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.565 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.58 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 48.2 Cg_endo -68.85 147.92 69.75 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 121.887 1.725 . . . . 0.0 111.717 175.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 63.45 30.62 15.3 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.952 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.5 p -132.4 163.96 27.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -136.62 143.46 14.84 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.017 178.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.23 177.69 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.006 0.431 . . . . 0.0 111.166 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.89 134.86 55.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.189 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.11 174.03 11.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.059 0.456 . . . . 0.0 111.164 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.51 125.99 42.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.488 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD13 ' HB2' ' A' ' 106' ' ' LEU . 8.8 tt -120.24 103.4 9.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.2 -105.53 1.52 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.777 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.59 -12.23 13.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -93.74 132.89 37.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.587 -174.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.434 ' HB3' HD22 ' A' ' 44' ' ' ASN . 51.1 mt-30 -81.18 140.45 34.96 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.458 HG12 HD12 ' A' ' 106' ' ' LEU . 42.6 t -133.04 148.49 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 111.182 -174.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . . . -112.18 123.05 49.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.402 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.475 HD12 HD11 ' A' ' 106' ' ' LEU . 62.4 mt -106.59 119.88 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.114 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.438 ' CD1' ' HA3' ' A' ' 18' ' ' GLY . 97.6 m-85 -115.64 133.86 55.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.72 0.295 . . . . 0.0 110.808 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -108.76 99.79 36.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HB2' HD13 ' A' ' 66' ' ' LEU . 67.5 Cg_endo -98.24 7.15 1.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.348 2.699 . . . . 0.0 113.109 -177.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -123.98 164.14 19.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.965 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -84.67 -17.94 36.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 p -77.43 -165.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.469 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.54 30.98 3.01 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.086 0.47 . . . . 0.0 110.238 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -96.45 118.31 32.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.56 157.45 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.21 177.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -133.4 149.99 51.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -127.93 131.14 49.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.104 0.478 . . . . 0.0 111.584 -176.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.9 pt -130.76 179.16 4.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.851 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.9 m -69.35 118.12 11.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.676 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 31.8 p-10 -76.72 -30.69 56.76 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.7 mm -101.29 108.39 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.575 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -74.61 142.9 78.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.453 -175.077 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -96.24 1.12 2.07 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.786 2.324 . . . . 0.0 114.088 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -91.49 -59.44 2.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.276 0.56 . . . . 0.0 110.131 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -94.3 -28.61 15.48 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.575 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 43.4 mt-10 68.34 69.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.036 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.8 p -105.59 -165.63 1.13 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.179 173.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 p -92.59 -153.63 0.35 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.812 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.474 HG11 ' ND2' ' A' ' 44' ' ' ASN . 35.9 m -68.18 124.59 24.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.905 0.86 . . . . 0.0 112.002 -171.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 40.0 mt -75.88 -1.49 25.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.092 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -65.35 -15.24 62.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.15 0.5 . . . . 0.0 111.081 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -90.92 41.03 1.04 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.417 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.42 159.38 23.82 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.966 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.3 134.72 37.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.854 0.359 . . . . 0.0 111.277 -170.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -82.95 122.35 37.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.529 174.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.14 142.37 50.23 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.827 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -84.08 120.02 25.65 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -131.23 115.12 15.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.852 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 62.28 28.72 17.12 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.531 0.681 . . . . 0.0 110.828 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.88 -0.24 79.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.632 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -109.1 156.04 20.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.766 0.317 . . . . 0.0 110.2 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' A' ' 33' ' ' PRO . 79.4 mt -97.69 104.26 16.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.978 0.418 . . . . 0.0 110.06 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -107.36 149.94 27.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.232 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -109.03 127.81 65.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -110.5 109.32 19.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.817 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.545 ' HB3' HD11 ' A' ' 72' ' ' LEU . 14.2 m -86.51 115.38 61.99 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.77 3.56 2.71 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.125 2.55 . . . . 0.0 112.986 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 70' ' ' SER . 7.3 mp -61.34 -57.73 11.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.862 176.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 25.0 mmtp -141.91 28.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 64.18 32.44 12.54 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.999 174.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -86.25 133.03 33.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.976 0.417 . . . . 0.0 110.241 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.627 ' HD2' ' SD ' ' A' ' 85' ' ' MET . 34.8 mtt85 -118.89 129.59 55.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.348 -174.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.407 ' CE1' HD13 ' A' ' 54' ' ' LEU . 31.6 m-85 -126.33 136.97 53.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.426 -176.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -83.59 113.91 21.16 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.5 mt -58.54 -29.31 66.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 t -60.52 -58.0 10.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.654 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -114.52 -12.95 12.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.01 15.11 58.24 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.073 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.1 tp -67.97 131.66 45.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.706 0.288 . . . . 0.0 110.521 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.794 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 77.0 m -84.51 138.43 32.78 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.627 ' SD ' ' HD2' ' A' ' 76' ' ' ARG . 25.2 ttt -59.62 -56.41 22.31 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -176.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -92.53 -20.03 21.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.499 0.666 . . . . 0.0 110.867 -175.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 84' ' ' CYS . 38.6 m-20 -106.79 10.5 30.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.204 -171.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -34.39 -38.65 0.07 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.436 ' HG3' ' CD2' ' A' ' 90' ' ' PHE . 22.3 pt20 -60.58 -27.63 67.85 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.436 ' CD2' ' HG3' ' A' ' 89' ' ' GLN . 92.3 m-85 -106.98 -61.76 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.217 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.794 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 65.6 m 63.59 -172.37 0.17 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.464 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.0 m -109.67 176.4 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.358 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -88.96 112.75 23.71 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.13 134.31 34.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.204 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.55 144.18 34.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.431 ' HB3' ' HB3' ' A' ' 107' ' ' ARG . 23.1 tt0 -82.67 125.41 31.19 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -175.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.75 139.8 46.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.86 0.362 . . . . 0.0 111.311 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.402 ' NH2' ' HD2' ' A' ' 100' ' ' LYS . 12.0 ttp180 -144.57 137.15 26.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.148 178.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.465 HG23 HD12 ' A' ' 10' ' ' ILE . 95.7 t -97.97 104.76 16.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.452 0.644 . . . . 0.0 110.262 177.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.402 ' HD2' ' NH2' ' A' ' 98' ' ' ARG . 75.4 tttt -96.64 106.89 19.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.809 -177.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.7 t70 60.59 20.26 10.14 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.754 0.788 . . . . 0.0 110.427 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.01 2.73 51.89 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.648 -178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.9 t -108.33 128.88 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.113 0.457 . . . . 0.0 110.095 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.18 116.89 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.492 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.449 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 15.3 mt-30 -113.93 146.38 40.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.475 HD11 HD12 ' A' ' 30' ' ' ILE . 82.2 mt -122.69 135.08 54.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.631 179.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.727 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 17.3 ttp85 -107.26 116.81 32.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.313 176.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -142.92 -149.56 5.15 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.364 176.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 83.25 7.21 87.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.238 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.248 0.986 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.317 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.771 0.319 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p 47.69 82.76 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -77.91 93.53 4.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.186 171.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -91.75 119.25 31.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.196 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -97.22 119.65 36.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.692 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.436 ' CG ' HE21 ' A' ' 105' ' ' GLN . 7.1 m-20 -69.21 103.32 1.9 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.755 174.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -74.48 -77.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.549 0.69 . . . . 0.0 110.681 -177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.9 m -151.84 177.38 10.48 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -80.09 147.18 31.53 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.272 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.479 HD13 HG23 ' A' ' 99' ' ' VAL . 19.5 tt -67.12 -13.76 17.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.62 0.724 . . . . 0.0 109.928 178.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.04 -18.05 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.724 174.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -86.68 -7.68 58.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.434 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.4 mt -114.17 134.85 55.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.295 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.9 mt -97.78 169.11 8.96 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.583 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.58 130.13 35.75 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.301 2.001 . . . . 0.0 112.363 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 57.17 53.01 8.23 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.743 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.9 p -135.92 174.98 10.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.709 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 55' ' ' SER . . . -141.12 137.19 7.99 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -118.64 177.83 2.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.661 0.267 . . . . 0.0 110.821 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.2 p -121.66 127.34 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.725 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.65 170.53 10.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.493 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 mt -112.11 121.33 44.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.866 0.365 . . . . 0.0 110.584 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 tt -124.18 111.68 16.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.05 -96.19 0.77 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.595 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -129.6 -5.82 4.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.464 ' CD ' ' HH ' ' A' ' 95' ' ' TYR . 12.3 pt-20 -114.72 164.77 13.59 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.922 -175.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -86.84 134.35 33.55 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.999 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.8 t -118.23 131.67 70.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.594 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.37 118.77 29.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.246 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.49 HD11 HD11 ' A' ' 106' ' ' LEU . 62.5 mt -104.38 108.87 25.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.615 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -101.87 132.32 47.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.987 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -111.0 99.96 44.89 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.52 ' HB2' HD13 ' A' ' 66' ' ' LEU . 87.2 Cg_endo -95.36 1.69 2.45 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.714 2.942 . . . . 0.0 113.243 -177.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.27 159.66 23.68 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.995 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.22 -12.66 59.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 173.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.437 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 10.0 p -92.24 -154.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.026 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' H ' ' HB2' ' A' ' 36' ' ' SER . 6.1 m-20 -84.15 -24.24 30.28 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -57.5 122.95 13.88 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -172.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.17 162.41 33.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.333 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -134.32 152.93 52.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.224 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.36 129.02 36.87 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.226 0.536 . . . . 0.0 111.837 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 pt -132.21 171.03 18.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' A' ' 93' ' ' LYS . 5.9 t -62.08 132.99 54.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.494 HD22 HG13 ' A' ' 53' ' ' VAL . 66.9 t30 -83.31 -12.89 56.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.04 0.448 . . . . 0.0 110.869 -173.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' SER . 31.8 mm -103.31 113.0 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 -177.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.513 ' HB2' HD23 ' A' ' 54' ' ' LEU . 10.8 t70 -72.31 124.96 91.51 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 173.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.48 -32.36 4.92 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.422 2.081 . . . . 0.0 113.932 -174.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -91.53 -44.04 9.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.878 0.37 . . . . 0.0 111.551 -173.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -89.54 -21.57 22.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.691 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 41.0 tt0 61.81 90.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.745 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 32.7 t -131.89 135.33 46.58 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.063 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -71.16 -33.87 70.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.856 0.36 . . . . 0.0 110.555 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.494 HG13 HD22 ' A' ' 44' ' ' ASN . 11.3 m -128.79 124.41 61.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.797 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 46' ' ' ASP . 87.4 mt -92.51 -1.72 56.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.66 0.743 . . . . 0.0 109.196 168.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.524 ' HB3' ' O ' ' A' ' 18' ' ' GLY . 1.4 m -69.06 -3.64 13.95 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.852 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -90.74 40.79 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.448 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.57 162.57 24.65 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.888 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.628 ' H ' HD22 ' A' ' 58' ' ' LEU . 2.0 pt? -102.97 155.21 18.52 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 33' ' ' PRO . 63.4 mt -109.68 122.52 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.919 0.39 . . . . 0.0 110.704 -175.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.77 154.35 20.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.689 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.22 137.73 51.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.529 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -130.52 79.66 1.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.097 173.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.661 ' N ' HE21 ' A' ' 63' ' ' GLN . 0.0 OUTLIER 65.51 28.51 11.45 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.286 172.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.59 -19.28 9.81 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.583 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.518 ' OE2' ' HD2' ' A' ' 78' ' ' ARG . 8.2 tp10 -92.65 138.61 31.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 33' ' ' PRO . 88.6 mt -114.9 123.89 50.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.2 0.524 . . . . 0.0 111.238 -173.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -120.81 129.57 53.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.282 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 8.6 p -96.49 125.25 49.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -111.69 113.79 26.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.605 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.7 m -93.73 110.84 49.85 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.257 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.07 -10.31 17.48 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.363 2.708 . . . . 0.0 112.946 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.8 mp -59.83 -34.23 72.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 21.6 tttm -147.27 10.23 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 12.8 ttpp 63.39 36.83 11.21 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.246 1.022 . . . . 0.0 108.463 -173.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -80.06 123.67 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.844 -174.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.633 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 74.4 mtt180 -114.75 114.38 25.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.544 -175.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 84' ' ' CYS . 88.9 m-85 -116.68 131.52 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.799 176.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.518 ' HD2' ' OE2' ' A' ' 65' ' ' GLU . 20.1 ttp85 -80.97 116.06 20.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.3 -17.66 64.33 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -171.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -60.61 -23.98 65.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.84 -69.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.163 0.506 . . . . 0.0 110.208 174.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.58 33.88 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.9 tp -85.45 110.94 19.52 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.535 -0.333 . . . . 0.0 110.537 -176.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 76' ' ' ARG . 49.0 t -84.98 134.22 34.24 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 82.6 mtp -62.91 -25.54 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.945 0.402 . . . . 0.0 111.189 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -93.1 -41.58 9.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.336 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.522 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 37.8 t70 -92.04 10.6 28.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.898 0.38 . . . . 0.0 111.13 -176.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -53.05 -6.82 0.06 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -61.36 -38.05 85.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 122.416 0.286 . . . . 0.0 110.379 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -140.33 -33.29 0.57 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.0 m 72.55 178.91 0.23 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.62 0.575 . . . . 0.0 111.479 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.6 m -101.41 -175.68 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.248 0.547 . . . . 0.0 112.3 -174.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 15.9 tptm -77.92 123.16 26.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.545 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -101.76 139.25 37.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.689 0.28 . . . . 0.0 110.714 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.464 ' HH ' ' CD ' ' A' ' 26' ' ' GLU . 94.7 m-85 -122.61 152.63 40.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.817 176.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.557 ' HG3' ' NH2' ' A' ' 107' ' ' ARG . 30.9 mm-40 -84.06 131.95 34.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.42 135.18 47.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 -177.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -145.67 158.79 43.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.479 HG23 HD13 ' A' ' 10' ' ' ILE . 40.6 t -110.81 102.67 14.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.21 0.529 . . . . 0.0 110.403 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.518 ' HD3' ' NE2' ' A' ' 105' ' ' GLN . 1.9 ttpm? -86.56 105.63 16.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.074 -178.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 48.94 29.28 2.29 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.196 0.935 . . . . 0.0 112.464 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.88 -11.78 34.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.748 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.3 t -100.15 124.4 53.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.36 123.41 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.518 ' NE2' ' HD3' ' A' ' 100' ' ' LYS . 78.7 mt-30 -117.22 138.74 51.5 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.722 0.296 . . . . 0.0 110.642 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.49 HD11 HD11 ' A' ' 30' ' ' ILE . 76.3 mt -118.85 142.63 47.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.322 177.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.557 ' NH2' ' HG3' ' A' ' 96' ' ' GLU . 17.6 ttp180 -123.65 111.24 15.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.945 174.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -129.67 82.82 0.33 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.622 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.79 -135.14 7.36 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.346 177.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 121.541 0.686 . . . . 0.0 110.484 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -74.33 92.4 2.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.982 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -83.03 128.07 34.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.708 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.32 127.02 31.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.571 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.402 HD12 ' HB1' ' A' ' 21' ' ' ALA . 47.2 mm -99.87 -67.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.061 0.458 . . . . 0.0 110.047 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.6 p -166.78 174.08 8.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.769 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 60.8 mttp -78.61 143.73 36.13 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.101 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 99' ' ' VAL . 17.3 tt -63.38 -13.4 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.515 -174.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.21 -29.14 69.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.37 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -71.84 -30.36 65.38 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.638 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.1 mt -90.42 107.89 18.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.094 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.29 158.79 44.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.106 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.23 134.02 43.2 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.122 2.548 . . . . 0.0 112.292 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.746 ' HA ' ' O ' ' A' ' 32' ' ' ARG . 1.8 pm0 36.99 68.99 0.23 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.248 0.968 . . . . 0.0 112.774 -172.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -140.15 157.9 44.89 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.609 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.5 140.81 12.51 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.233 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.51 157.73 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.542 0.21 . . . . 0.0 110.586 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -98.8 131.09 45.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 0.0 110.814 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' A' ' 7' ' ' ILE . . . -120.84 175.48 6.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.84 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.7 mt -125.01 117.51 24.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.817 0.341 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.1 tp -108.2 86.35 2.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 172.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.57 -103.19 1.39 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.118 -172.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -114.59 4.28 15.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.151 0.501 . . . . 0.0 110.174 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -90.6 117.64 29.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.665 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -79.94 103.97 10.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t -98.95 135.44 33.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.507 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -96.9 110.14 22.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.974 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.468 HD11 HD11 ' A' ' 106' ' ' LEU . 58.1 mt -92.0 108.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.741 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.465 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 88.3 m-85 -105.39 118.59 36.96 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.61 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.746 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 75.8 ttt180 -97.61 100.04 7.58 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 168.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HB2' HD13 ' A' ' 66' ' ' LEU . 68.0 Cg_endo -90.47 7.05 3.84 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.83 2.354 . . . . 0.0 113.439 -171.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.479 ' CZ ' HD11 ' A' ' 66' ' ' LEU . 66.6 m-85 -140.64 -168.81 2.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.262 0.553 . . . . 0.0 110.675 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -100.89 -15.98 17.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.57 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m -83.38 -164.82 0.95 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.026 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -84.5 9.71 12.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.588 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.561 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 73.1 mt-30 -82.32 111.99 18.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.613 -177.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 m -132.39 150.32 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.185 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -132.22 153.31 50.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.204 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.13 125.92 30.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 111.474 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.1 pt -131.48 -177.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.721 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 93' ' ' LYS . 22.0 t -65.97 132.5 48.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.45 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 27.6 t-20 -81.88 -11.69 58.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 0.0 110.561 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.1 mt -123.77 134.29 66.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.598 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -93.55 148.44 35.48 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.49 -10.05 3.29 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.451 2.1 . . . . 0.0 114.346 -173.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -91.42 -56.21 3.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.005 0.431 . . . . 0.0 111.1 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 40.6 t80 -101.18 -27.6 13.13 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.374 -174.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 70.89 81.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.763 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.1 m -101.96 113.89 27.52 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 167.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -57.76 -36.45 72.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.931 -171.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.9 m -129.11 124.1 59.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.86 173.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 43' ' ' SER . 79.2 mt -91.93 -10.87 37.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.373 0.606 . . . . 0.0 109.514 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 m -74.86 1.8 11.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.662 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -103.97 40.56 1.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.472 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.89 164.65 24.72 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.0 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.92 140.45 37.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.898 0.38 . . . . 0.0 110.625 -175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -86.63 126.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.159 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.48 146.52 38.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.507 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -85.2 152.83 23.05 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.45 0.643 . . . . 0.0 112.082 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -163.98 129.72 3.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.2 165.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 72.97 7.02 5.41 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.88 0.737 . . . . 0.0 111.165 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.52 9.93 64.17 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.236 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -114.42 159.31 20.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.567 HD13 ' HB2' ' A' ' 33' ' ' PRO . 39.3 mt -99.39 119.13 37.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.893 0.378 . . . . 0.0 110.54 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -117.59 134.18 55.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.817 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.7 p -96.43 119.98 45.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.59 122.54 43.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.748 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.459 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 15.9 m -86.17 115.41 61.84 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.083 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.472 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 21.0 Cg_exo -65.9 -6.95 15.38 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.488 2.792 . . . . 0.0 112.905 -175.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' H ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -61.98 -38.68 89.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.859 175.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.6 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -144.96 -113.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.93 176.855 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -140.71 25.14 2.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.718 0.294 . . . . 0.0 110.82 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -68.96 126.38 29.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.642 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -124.54 118.29 26.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.103 0.478 . . . . 0.0 110.55 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 84' ' ' CYS . 63.1 m-85 -107.36 120.69 42.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.542 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HD3' ' HB3' ' A' ' 83' ' ' LEU . 70.1 ttt180 -71.75 117.69 13.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.182 176.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.96 -17.06 59.88 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -171.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.85 -39.21 68.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.943 0.401 . . . . 0.0 111.485 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -144.15 -57.88 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.52 37.96 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 119.963 -1.113 . . . . 0.0 112.61 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.43 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 22.7 tp -88.91 99.42 12.39 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.881 0.372 . . . . 0.0 110.467 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.536 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 38.4 t -77.86 124.84 28.49 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 170.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -64.65 -15.69 61.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.196 0.522 . . . . 0.0 111.23 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -92.56 -29.62 16.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.519 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 21.4 t70 -107.04 10.42 30.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.047 -172.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' OE2' ' HG2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -49.97 -15.23 0.18 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -172.283 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG2' ' OE2' ' A' ' 88' ' ' GLU . 84.4 mm-40 -67.84 -38.99 83.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -110.12 -47.65 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.458 -174.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 m 76.83 144.36 0.08 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.774 0.83 . . . . 0.0 110.534 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.4 m -90.9 169.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.462 0.649 . . . . 0.0 112.429 -170.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 20.0 tptm -63.46 129.33 39.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.829 -178.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -118.44 133.99 55.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -118.5 154.28 32.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -91.23 134.33 34.65 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.761 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.59 130.11 49.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.891 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -131.6 151.73 51.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.207 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.423 HG21 HD12 ' A' ' 10' ' ' ILE . 61.3 t -99.6 97.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.035 175.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -101.74 113.89 27.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.363 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 61.18 24.82 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.218 0.532 . . . . 0.0 110.231 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.86 9.13 78.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.501 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 40.0 t -112.49 130.6 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.93 0.365 . . . . 0.0 110.245 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.9 t -76.99 121.12 28.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.23 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -118.98 142.99 47.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.508 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 30' ' ' ILE . 82.9 mt -114.59 138.94 50.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.573 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.409 ' HD2' HH11 ' A' ' 107' ' ' ARG . 19.6 ttp85 -120.54 132.35 55.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.885 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 176.896 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 120.705 0.288 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 96.5 m95 -56.08 115.52 2.47 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.794 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -112.25 122.56 48.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.595 178.793 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.52 ' HB2' HG11 ' A' ' 103' ' ' VAL . 5.6 p-10 -72.65 127.47 32.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.467 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.1 mm -102.16 -73.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.338 0.589 . . . . 0.0 110.771 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 80.9 m -143.35 177.7 8.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.021 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 35.6 mtmm -84.28 155.07 22.6 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.944 0.402 . . . . 0.0 110.743 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.412 HD11 ' HD2' ' A' ' 32' ' ' ARG . 9.9 tp -68.8 -20.17 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.594 0.712 . . . . 0.0 110.008 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.27 -14.62 63.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.72 -33.06 20.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.156 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -94.71 115.11 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.474 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.9 164.65 51.94 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.321 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.57 135.63 71.47 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.533 2.156 . . . . 0.0 112.54 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 62.17 37.4 14.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.045 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -124.1 142.95 50.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.612 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.77 137.13 12.58 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.88 161.3 20.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.845 0.355 . . . . 0.0 110.983 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.2 m -101.13 119.97 39.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.534 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.55 172.2 9.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.541 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.0 mt -125.82 135.12 51.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.644 0.259 . . . . 0.0 110.573 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.0 tp -131.12 113.88 14.44 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.75 -100.68 0.57 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.28 -174.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.68 -4.69 7.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.294 0.109 . . . . 0.0 111.294 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -102.83 149.45 24.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.986 0.422 . . . . 0.0 110.807 -173.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' HB2' HG12 ' A' ' 45' ' ' ILE . 24.2 mp0 -85.19 125.2 32.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.748 177.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.7 t -115.04 131.31 67.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.825 0.345 . . . . 0.0 110.412 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' N ' ' HB2' ' A' ' 44' ' ' ASN . . . -97.68 118.88 35.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.844 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.4 mt -103.79 112.44 37.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.428 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 97.9 m-85 -106.86 129.09 54.75 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.514 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HD2' HD11 ' A' ' 10' ' ' ILE . 76.2 ttt180 -107.96 100.08 34.12 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 172.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HB2' HD13 ' A' ' 66' ' ' LEU . 7.0 Cg_endo -86.63 -31.04 0.3 Allowed 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.291 2.661 . . . . 0.0 112.711 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -90.63 163.38 14.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 0.0 110.685 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -88.58 -5.22 58.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.241 176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.8 p -91.3 -158.12 0.54 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.227 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.442 ' HB2' ' HB ' ' A' ' 99' ' ' VAL . 8.6 p-10 -91.42 6.18 46.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.934 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -78.67 110.89 14.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.185 0.517 . . . . 0.0 111.209 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.4 158.23 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.373 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -132.81 146.93 52.24 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -131.71 136.78 47.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 0.0 111.361 -177.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.6 pt -136.44 177.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.085 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 93' ' ' LYS . 14.3 p -65.18 124.07 21.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.426 ' HB2' ' N ' ' A' ' 29' ' ' ALA . 65.3 t30 -85.67 3.38 41.25 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -174.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' A' ' 27' ' ' GLN . 40.4 mm -127.45 117.67 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -81.34 120.65 78.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 121.178 0.513 . . . . 0.0 110.045 174.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 14.4 Cg_endo -91.96 -6.59 3.41 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.331 2.687 . . . . 0.0 113.479 -177.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -91.48 -54.21 4.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.962 0.411 . . . . 0.0 110.595 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' ' HD2' ' A' ' 73' ' ' LYS . 90.9 t80 -92.07 -16.54 26.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 52.5 mt-10 65.97 50.72 1.44 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.568 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.417 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 32.1 t -102.4 129.34 48.85 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 169.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.2 m -76.44 -107.72 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.06 124.46 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.496 0.665 . . . . 0.0 112.465 -170.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.0 mt -89.65 -3.36 58.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.061 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -62.35 -21.6 65.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.924 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -88.18 40.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.395 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.495 ' HA2' ' HD2' ' A' ' 71' ' ' PRO . . . -134.37 162.83 24.63 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.879 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.52 141.27 32.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.911 0.386 . . . . 0.0 110.927 -174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 33' ' ' PRO . 59.4 mt -99.11 125.13 52.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.205 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.0 163.72 28.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 0.0 111.113 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.02 119.18 38.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -90.39 -70.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.647 0.26 . . . . 0.0 110.625 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.56 83.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.068 0.461 . . . . 0.0 110.221 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.93 80.82 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.755 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -148.68 149.12 30.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.242 0.544 . . . . 0.0 111.0 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.583 HD13 ' HB2' ' A' ' 33' ' ' PRO . 20.4 mt -97.33 122.69 40.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.758 -175.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 45.2 m95 -120.71 136.18 54.93 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.803 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 77' ' ' PHE . 7.0 p -102.08 113.96 40.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.452 0.644 . . . . 0.0 109.916 176.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.04 114.27 26.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.187 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.0 m -86.8 115.01 60.93 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.229 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.495 ' HD2' ' HA2' ' A' ' 57' ' ' GLY . 43.6 Cg_endo -67.86 0.01 4.86 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.049 2.499 . . . . 0.0 112.033 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' HE3' ' A' ' 73' ' ' LYS . 70.2 mt -58.97 -37.6 77.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.907 174.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.709 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -151.41 -103.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.869 174.746 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' H ' ' HB3' ' A' ' 73' ' ' LYS . 54.2 mtmt -145.16 27.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.419 0.628 . . . . 0.0 109.855 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.488 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 7.3 mp0 -83.1 112.57 19.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.484 -177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.627 ' HD3' ' HB3' ' A' ' 85' ' ' MET . 0.0 OUTLIER -106.78 112.26 25.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 75' ' ' GLN . 93.5 m-85 -100.8 134.73 43.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.369 0.604 . . . . 0.0 111.306 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.889 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 67.6 ttt180 -82.98 111.61 18.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.39 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -27.68 61.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.947 0.403 . . . . 0.0 111.195 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p -79.98 -9.2 59.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.233 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.889 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 8.4 t70 -149.94 -62.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -175.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.416 ' H ' ' HB3' ' A' ' 78' ' ' ARG . . . 138.41 -17.95 3.29 Favored Glycine 0 C--N 1.323 -0.182 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.348 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.458 HD12 ' OG ' ' A' ' 91' ' ' SER . 14.3 tp -52.92 125.41 16.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.436 -0.382 . . . . 0.0 111.289 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.23 134.18 34.15 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.627 ' HB3' ' HD3' ' A' ' 76' ' ' ARG . 15.2 ttt -64.58 -32.62 74.35 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.3 -175.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.42 -48.83 6.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.534 0.683 . . . . 0.0 110.494 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -88.42 10.74 19.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.741 -173.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.74 -32.36 0.06 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -60.92 -28.33 68.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.138 0.494 . . . . 0.0 110.575 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -105.71 -65.41 1.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.444 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.458 ' OG ' HD12 ' A' ' 83' ' ' LEU . 62.6 m 69.47 149.47 0.08 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.028 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.471 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 17.3 m -92.96 -169.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.957 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 85.0 tttt -95.29 139.7 31.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.68 -173.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -120.69 135.32 55.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.961 0.41 . . . . 0.0 110.824 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -112.91 160.88 17.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.814 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.88 124.68 45.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 174.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.74 147.08 45.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.984 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.553 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 9.2 ptm85 -148.5 162.79 38.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.344 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 37' ' ' ASP . 98.2 t -104.79 113.74 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.962 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -124.07 125.01 43.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.989 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 63.85 17.99 10.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.392 0.615 . . . . 0.0 109.6 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.8 16.53 67.76 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.727 -174.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 6' ' ' ASP . 65.6 t -121.97 134.89 63.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.767 0.317 . . . . 0.0 110.634 -175.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.33 122.51 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 79.0 mt-30 -117.59 144.04 45.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.094 177.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.5 mt -113.47 136.36 52.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.402 ' HD3' ' CE2' ' A' ' 4' ' ' TRP . 37.1 ttp180 -120.33 119.97 34.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.905 173.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.133 179.074 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.416 ' NE1' ' HD3' ' A' ' 107' ' ' ARG . 85.1 m95 -87.1 99.2 11.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.33 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -79.78 129.65 34.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.204 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.502 ' HB2' HG11 ' A' ' 103' ' ' VAL . 7.8 p-10 -80.64 126.73 31.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.189 0.519 . . . . 0.0 109.705 174.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -93.01 -69.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.163 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -154.53 167.23 30.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.394 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -67.15 150.99 48.38 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 tp -58.98 -21.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 111.074 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.16 -19.7 63.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.461 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.94 -27.56 60.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.632 HD12 HG21 ' A' ' 104' ' ' VAL . 20.4 mt -111.65 100.41 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.011 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.17 162.47 69.13 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.241 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.53 147.64 90.71 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.248 1.965 . . . . 0.0 111.761 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 63.44 25.76 14.64 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 123.594 0.559 . . . . 0.0 110.699 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.4 m -122.96 145.62 48.32 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.915 0.388 . . . . 0.0 111.751 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.38 131.09 7.98 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.156 -0.545 . . . . 0.0 111.884 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 m -118.94 175.83 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.836 0.351 . . . . 0.0 110.79 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 p -121.11 140.41 52.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.13 -177.31 5.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.498 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.4 tt -130.56 127.9 40.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 106' ' ' LEU . 57.5 tp -127.39 111.85 14.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.113 0.483 . . . . 0.0 110.322 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.94 -93.59 1.29 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.102 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -126.1 -25.95 3.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.739 0.304 . . . . 0.0 110.933 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.18 167.26 9.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.197 0.522 . . . . 0.0 111.385 -170.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -92.57 131.46 37.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.542 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.402 HG21 ' HB3' ' A' ' 23' ' ' LEU . 52.4 t -115.83 138.07 47.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.501 -176.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -102.25 120.18 40.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.773 177.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 106' ' ' LEU . 52.2 mt -106.14 114.88 46.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.16 -177.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.16 130.13 55.73 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.768 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -112.85 99.6 48.65 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.43 -40.68 0.32 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.029 2.486 . . . . 0.0 112.372 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CE1' HD11 ' A' ' 66' ' ' LEU . 93.3 m-85 -90.14 161.5 15.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.182 0.515 . . . . 0.0 111.553 -172.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -78.06 -11.25 59.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.348 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.4 m -86.44 -166.63 1.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.772 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -92.24 30.29 1.49 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -97.03 110.77 23.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.788 0.327 . . . . 0.0 110.602 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 m -122.11 150.55 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.491 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.58 139.1 52.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.053 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.18 127.31 46.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.966 0.413 . . . . 0.0 111.489 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.28 -176.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.957 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.511 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 15.2 m -68.84 139.77 55.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.516 HD21 HG12 ' A' ' 53' ' ' VAL . 66.6 t30 -87.37 -1.53 57.98 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -172.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.0 mt -113.82 128.11 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.034 0.445 . . . . 0.0 111.873 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.716 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.6 OUTLIER -88.42 128.26 53.75 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.511 174.771 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -86.63 -7.96 7.33 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.873 2.382 . . . . 0.0 113.838 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 87' ' ' ASP . 75.8 m-85 -80.12 -60.8 2.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 0.0 111.466 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 73' ' ' LYS . 99.1 m-85 -112.59 10.65 19.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.965 0.412 . . . . 0.0 110.417 -175.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 61.37 73.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.066 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.716 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 15.3 m -102.42 116.39 32.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.525 -0.761 . . . . 0.0 108.994 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 p -71.45 -31.34 67.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.312 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.516 HG12 HD21 ' A' ' 44' ' ' ASN . 14.8 m -128.43 124.61 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.114 0.483 . . . . 0.0 111.082 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 46' ' ' ASP . 74.6 mt -90.77 -8.22 50.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.52 . . . . 0.0 109.683 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -64.56 -15.72 61.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.145 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -91.61 39.37 1.0 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.479 0.656 . . . . 0.0 110.008 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.468 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.81 158.74 23.64 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.832 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.755 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.5 pt? -98.63 145.94 26.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.7 mt -92.96 109.67 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.322 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -119.08 122.21 41.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.554 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -73.88 130.28 39.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.021 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.658 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 36.9 m80 -135.07 117.07 15.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.601 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 62.93 21.8 13.08 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.842 0.714 . . . . 0.0 111.763 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.8 -16.43 56.08 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.705 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -100.34 149.43 23.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.682 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.401 HD11 ' CE1' ' A' ' 34' ' ' TYR . 79.7 mt -90.16 108.53 19.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.441 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.658 ' CD1' ' HB2' ' A' ' 62' ' ' HIS . 76.0 m95 -109.93 130.73 55.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.084 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.1 p -96.6 124.6 49.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 174.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -103.06 123.01 45.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.618 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.454 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 14.6 m -85.49 111.63 38.37 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.437 178.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 11.9 Cg_exo -71.89 -0.45 8.46 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.491 2.794 . . . . 0.0 112.75 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' H ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -62.43 -32.52 73.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 39.8 tptt -150.81 -75.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 172.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 73' ' ' LYS . 3.6 tppp? 169.98 71.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.167 0 O-C-N 124.117 0.886 . . . . 0.0 109.855 171.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -100.57 144.32 29.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.478 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -121.53 115.4 22.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.17 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.413 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 87.7 m-85 -115.97 136.45 53.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.808 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 53.4 ttt180 -93.09 101.74 14.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.281 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.92 -37.57 87.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.835 -173.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 m -56.16 -35.14 66.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.649 -172.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -126.96 -23.93 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.894 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.76 ' HA3' ' HB2' ' A' ' 94' ' ' HIS . . . 105.14 -0.13 41.09 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.091 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.458 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 21.5 tp -70.34 150.35 46.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 52.8 t -105.87 146.0 30.5 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 170.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.423 ' HB3' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -66.95 -56.62 9.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.88 0.372 . . . . 0.0 110.741 -176.662 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.423 ' OE1' ' HB3' ' A' ' 85' ' ' MET . 2.1 mp0 -79.73 -31.01 41.05 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 3.8 t70 -95.02 10.78 34.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.616 0.246 . . . . 0.0 110.996 -175.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -40.38 -27.73 0.05 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -53.43 -45.94 69.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.207 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -124.35 -56.26 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.583 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.1 m 68.24 -173.35 0.19 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.996 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 43' ' ' SER . 26.9 m -95.02 174.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.074 -176.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -89.6 118.95 29.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.76 ' HB2' ' HA3' ' A' ' 82' ' ' GLY . 53.9 t-80 -90.91 126.08 35.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.661 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CD2' HD23 ' A' ' 23' ' ' LEU . 84.4 m-85 -96.48 166.42 11.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.66 0.267 . . . . 0.0 110.415 -178.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 37.2 mt-10 -90.9 115.82 28.24 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.57 150.61 47.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.817 0.341 . . . . 0.0 111.741 -174.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -165.82 170.91 13.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.422 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.6 t -104.69 110.88 32.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.991 0.424 . . . . 0.0 110.192 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.571 ' CB ' ' HG3' ' A' ' 105' ' ' GLN . 21.6 ttpp -106.45 116.23 31.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.078 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.457 ' OD2' ' HG2' ' A' ' 100' ' ' LYS . 15.7 m-20 63.95 17.65 10.7 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.424 0.452 . . . . 0.0 110.837 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.73 12.35 60.86 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.068 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.502 HG11 ' HB2' ' A' ' 6' ' ' ASP . 59.3 t -116.58 137.6 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.632 HG21 HD12 ' A' ' 13' ' ' ILE . 47.1 t -74.25 120.91 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.788 0.328 . . . . 0.0 110.351 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HG3' ' CB ' ' A' ' 100' ' ' LYS . 4.7 mm100 -117.29 136.61 52.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.519 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 30' ' ' ILE . 77.4 mt -122.45 128.59 51.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.271 0.357 . . . . 0.0 110.596 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' HD3' ' NE1' ' A' ' 4' ' ' TRP . 18.5 ttp180 -110.14 120.03 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.428 0.632 . . . . 0.0 110.445 173.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.903 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.72 174.865 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 88.6 m95 -52.29 109.03 0.34 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.204 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.491 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -78.33 112.0 14.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.101 -175.553 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.95 111.88 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 170.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.1 mm -88.75 -76.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.237 0.541 . . . . 0.0 110.392 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.9 m -150.47 173.24 14.29 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 94.6 mttt -79.54 142.82 35.4 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.838 0.352 . . . . 0.0 110.302 178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 ' HD2' ' A' ' 32' ' ' ARG . 10.1 tp -71.76 -6.7 7.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.683 0.754 . . . . 0.0 109.936 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.84 -26.42 65.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.216 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.51 -44.88 16.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.359 0.6 . . . . 0.0 110.608 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.406 ' HB ' HD12 ' A' ' 10' ' ' ILE . 44.5 mt -77.25 106.0 6.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.501 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.64 165.22 47.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.69 145.25 98.63 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.282 1.988 . . . . 0.0 111.818 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.43 26.85 15.05 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.109 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -118.77 138.18 52.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.952 0.405 . . . . 0.0 111.421 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -118.82 136.69 12.26 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -121.74 166.61 16.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.647 0.261 . . . . 0.0 110.972 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.9 m -112.33 108.4 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.021 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.53 -179.38 3.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 23' ' ' LEU . 2.4 tt -123.05 126.82 47.83 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 22' ' ' LEU . 7.6 tt -124.22 100.86 6.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.27 -87.31 0.4 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.96 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -126.55 -23.78 3.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.96 0.41 . . . . 0.0 110.756 177.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -90.61 158.94 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -103.26 124.31 48.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.505 0.669 . . . . 0.0 110.356 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.5 t -109.71 135.81 47.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.694 -174.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -92.82 115.88 28.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.607 176.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.423 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 61.8 mt -102.73 119.8 51.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.793 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.437 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 99.4 m-85 -112.33 123.08 49.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HD2' HD11 ' A' ' 10' ' ' ILE . 72.1 ttt180 -100.64 100.22 11.93 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 169.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.49 ' HB2' HD13 ' A' ' 66' ' ' LEU . 72.7 Cg_endo -87.16 -31.19 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.831 2.354 . . . . 0.0 113.299 -175.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.89 175.04 5.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.801 0.334 . . . . 0.0 110.386 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -86.72 -19.35 29.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 t -82.16 -165.3 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.101 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.545 ' HB2' HG21 ' A' ' 99' ' ' VAL . 5.9 p-10 -92.16 17.32 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.08 0.467 . . . . 0.0 111.335 -176.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.429 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 6.9 tp60 -80.91 107.62 13.88 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.6 m -127.01 163.55 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 111.418 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -136.06 153.04 51.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.706 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.43 130.46 23.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.955 0.407 . . . . 0.0 111.304 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 94' ' ' HIS . 6.4 pt -140.59 176.55 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.417 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.596 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 15.0 p -60.56 125.33 23.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.476 0.179 . . . . 0.0 111.085 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 54.1 t30 -68.91 -42.13 77.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.042 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 51' ' ' SER . 60.5 mt -88.72 113.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.91 0.386 . . . . 0.0 110.605 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.709 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER -69.88 120.06 75.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.362 173.042 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 84.1 Cg_endo -86.84 -7.39 7.33 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.996 2.464 . . . . 0.0 113.629 -173.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -91.47 -56.07 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.839 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -95.82 -9.06 32.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.079 0.466 . . . . 0.0 110.041 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 68.11 73.73 0.29 Allowed 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.948 -175.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.709 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 17.4 m -107.41 114.01 27.74 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -69.95 -29.54 66.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 t -125.14 123.83 66.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.853 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 44' ' ' ASN . 15.9 tp -92.34 -23.51 19.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -68.46 -9.17 47.0 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.028 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 17.2 ttm180 -90.03 40.9 1.02 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.418 0.628 . . . . 0.0 110.043 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.79 164.64 24.69 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.914 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 pp -107.95 151.53 25.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.856 0.36 . . . . 0.0 110.949 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.1 mt -94.77 115.01 32.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.17 143.46 45.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 168.24 18.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.071 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -139.71 -56.56 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.632 0.253 . . . . 0.0 110.376 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -168.18 31.78 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.358 0.599 . . . . 0.0 110.005 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.23 30.74 2.4 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -138.72 151.41 47.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -174.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 33' ' ' PRO . 71.5 mt -111.59 101.95 10.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.258 0.551 . . . . 0.0 110.296 176.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.555 ' HB2' HH21 ' A' ' 76' ' ' ARG . 76.7 m95 -102.66 137.08 41.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.867 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.62 119.5 44.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.95 121.84 43.37 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.787 -176.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.452 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 45.5 t -82.52 109.86 18.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.757 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 14.4 Cg_exo -69.59 -8.01 22.48 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.209 2.606 . . . . 0.0 112.005 -177.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.91 -27.41 68.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.745 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -138.07 -92.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.371 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -176.11 22.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.016 0.526 . . . . 0.0 109.806 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -82.28 128.01 33.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.243 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.555 HH21 ' HB2' ' A' ' 67' ' ' TRP . 25.6 mtp180 -112.87 123.84 51.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.931 0.396 . . . . 0.0 110.264 177.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -111.41 143.46 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.434 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -89.2 114.37 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.5 mt -54.53 -32.04 57.43 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -171.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.9 p -65.52 -41.11 93.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -173.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -109.41 -16.82 13.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.741 0.305 . . . . 0.0 111.414 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 91' ' ' SER . . . 73.5 26.68 69.31 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -169.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 88' ' ' GLU . 5.0 tp -90.09 136.33 33.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.799 -0.701 . . . . 0.0 110.523 -174.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 87' ' ' ASP . 24.0 t -86.31 147.76 25.92 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ttt -57.02 -67.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -92.42 -18.47 23.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.476 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 13.1 m-20 -95.77 10.8 35.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.269 -174.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.481 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.0 pt-20 -33.89 -41.65 0.1 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -170.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -66.56 -31.91 72.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.904 0.775 . . . . 0.0 111.224 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -107.3 42.09 1.38 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.492 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' A' ' 82' ' ' GLY . 73.1 m -71.65 178.02 3.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.068 0.461 . . . . 0.0 111.919 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.596 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 35.4 m -91.02 -175.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.432 -174.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 45.0 tttp -88.59 124.58 34.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.259 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.543 ' HA ' HG22 ' A' ' 42' ' ' ILE . 21.9 t-80 -107.53 128.84 54.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 111.108 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.456 ' OH ' ' HD3' ' A' ' 93' ' ' LYS . 83.0 m-85 -107.26 167.26 10.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.077 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -95.38 132.11 40.78 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.88 147.38 47.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.892 0.377 . . . . 0.0 111.619 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -155.43 157.57 37.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.862 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 37' ' ' ASP . 85.4 t -105.73 112.55 39.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.338 0.59 . . . . 0.0 110.639 177.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -91.06 90.44 7.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.444 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 57.0 23.18 8.05 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.693 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.4 ' H ' HG12 ' A' ' 99' ' ' VAL . . . 112.29 -7.73 26.78 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.762 -177.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 48.1 t -103.87 129.06 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.802 0.301 . . . . 0.0 110.509 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.5 122.22 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 122.361 -0.212 . . . . 0.0 110.689 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 61.0 mt-30 -117.78 143.63 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.617 0.246 . . . . 0.0 110.377 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.2 mt -128.15 139.96 52.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -113.72 113.61 25.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 171.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.722 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.257 -178.217 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.429 ' CD2' ' HB2' ' A' ' 107' ' ' ARG . 81.0 m95 -89.7 95.59 10.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -89.52 122.43 32.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.792 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.64 112.33 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -81.82 -69.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.418 0.628 . . . . 0.0 110.1 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -162.18 177.03 10.03 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 57.6 mttm -81.86 158.93 23.85 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.485 -177.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.98 -11.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.451 0.643 . . . . 0.0 110.834 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -77.73 -21.83 51.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.343 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.69 -49.66 10.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.049 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.0 mt -86.96 101.49 11.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.6 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 86.5 mt -76.67 167.7 34.44 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.904 -177.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 17.0 Cg_endo -57.23 143.37 93.69 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.719 2.28 . . . . 0.0 111.892 174.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 61.77 35.09 16.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.786 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 m -126.47 136.58 52.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.45 139.42 14.12 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.15 148.74 33.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.897 0.379 . . . . 0.0 110.95 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 p -97.62 113.39 25.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.155 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.37 179.93 3.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.264 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.55 125.16 33.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.696 0.284 . . . . 0.0 110.816 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 tp -117.15 115.31 25.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.81 -102.56 0.99 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -171.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -129.54 -0.14 4.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.844 0.354 . . . . 0.0 110.424 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.15 148.26 22.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.256 0.55 . . . . 0.0 110.88 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -87.11 118.98 26.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.338 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -112.14 133.77 56.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.24 118.51 36.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.127 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 106' ' ' LEU . 56.3 mt -101.79 122.57 54.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.924 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.11 125.0 49.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.877 0.37 . . . . 0.0 110.995 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -108.71 100.23 37.93 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.521 ' HB3' HG21 ' A' ' 59' ' ' ILE . 74.2 Cg_endo -80.19 -43.23 0.13 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.953 2.435 . . . . 0.0 113.16 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 66' ' ' LEU . 69.2 m-85 -90.01 171.19 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.233 0.539 . . . . 0.0 110.922 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 8.4 t-80 -86.91 -3.54 59.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.53 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.67 ' HB2' ' OE1' ' A' ' 38' ' ' GLN . 1.5 m -97.72 -150.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.922 -176.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -90.55 6.38 43.85 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.67 ' OE1' ' HB2' ' A' ' 36' ' ' SER . 27.1 mp0 -79.87 109.67 14.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 111.378 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 m -126.57 143.7 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.911 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -126.96 148.67 50.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.399 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.65 129.04 38.32 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.034 0.445 . . . . 0.0 111.368 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.5 pt -135.7 169.54 20.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.266 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.3 m -60.41 129.38 41.37 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 64.1 t30 -74.53 -15.17 60.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.485 -175.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' SER . 50.7 mt -121.64 128.33 75.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.787 178.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -83.81 148.52 54.54 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.735 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -84.04 -24.91 2.47 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.94 2.426 . . . . 0.0 114.313 -172.553 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -91.61 -45.21 8.6 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -170.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 51.8 t80 -107.2 -8.03 16.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.923 0.392 . . . . 0.0 110.153 -176.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 10.1 pt-20 48.87 80.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.653 1.181 . . . . 0.0 113.322 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 3.4 m -102.05 114.16 28.04 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 169.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' HG12 ' A' ' 45' ' ' ILE . 13.4 m -59.48 -39.36 83.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -171.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.411 HG12 HD21 ' A' ' 44' ' ' ASN . 13.6 m -128.51 124.17 61.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.182 0.515 . . . . 0.0 111.613 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 79.8 mt -92.44 -15.03 27.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.304 170.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 m -68.42 -13.69 62.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.43 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -92.14 40.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.545 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.85 164.6 24.71 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.904 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.84 143.3 26.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.808 0.337 . . . . 0.0 110.795 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 33' ' ' PRO . 62.4 mt -102.81 129.6 54.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.826 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.28 143.07 30.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.053 0.454 . . . . 0.0 111.574 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.97 105.25 17.68 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -78.98 -55.53 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.231 -173.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -168.75 85.13 0.16 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.196 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.24 -6.89 58.79 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.69 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -139.76 144.6 37.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 110.705 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 34' ' ' TYR . 69.6 mt -88.12 120.29 29.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.681 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -117.26 136.09 53.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.789 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.6 p -109.53 139.37 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.94 116.51 17.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.865 0.364 . . . . 0.0 111.717 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.482 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 14.7 m -77.95 119.91 79.22 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.506 174.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.545 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 24.3 Cg_exo -64.34 -8.76 17.67 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.605 2.87 . . . . 0.0 114.006 -172.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.609 HD22 ' H ' ' A' ' 72' ' ' LEU . 3.0 mm? -52.53 -70.78 0.08 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.121 0.486 . . . . 0.0 110.538 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 70.5 mmtt -118.97 9.43 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.023 175.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 74' ' ' LYS . 4.4 ttmp? 59.57 66.58 0.99 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.552 -176.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -89.24 121.63 31.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.909 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 1.4 mpt_? -95.86 122.29 38.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.209 -174.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.36 120.71 37.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.697 0.284 . . . . 0.0 110.693 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.588 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 57.0 ttp180 -75.77 107.49 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.48 -31.32 65.87 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.85 -174.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -45.32 -50.3 12.13 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.046 0.841 . . . . 0.0 111.922 -176.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.501 ' HA ' ' CD2' ' A' ' 94' ' ' HIS . 31.5 t70 -144.29 20.35 1.73 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.276 0.56 . . . . 0.0 111.419 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.99 41.75 80.59 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.636 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.588 ' HB3' ' HB3' ' A' ' 78' ' ' ARG . 9.0 tp -94.16 104.78 16.79 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.469 -178.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.8 t -70.46 133.3 46.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 172.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 ttt -65.07 -34.97 79.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.939 0.4 . . . . 0.0 110.904 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -88.86 -49.77 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.586 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -83.77 10.49 9.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.324 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.551 ' HG3' HD11 ' A' ' 83' ' ' LEU . 41.8 tt0 -36.18 -35.16 0.07 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.399 1.48 . . . . 0.0 113.702 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -45.94 -42.77 13.3 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 123.473 0.483 . . . . 0.0 111.86 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -128.95 -23.52 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.111 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.8 m 67.82 -168.7 0.19 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.337 0.398 . . . . 0.0 111.38 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 m -114.57 -168.87 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.333 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -80.49 130.92 35.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 81' ' ' ASP . 41.9 t-80 -103.69 114.77 29.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.769 174.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -97.02 145.98 25.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.967 0.413 . . . . 0.0 110.507 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -86.92 114.88 23.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.561 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -112.86 146.4 38.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -150.53 169.15 22.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.808 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.91 94.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.339 0.59 . . . . 0.0 109.957 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -83.36 97.36 8.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.231 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.4 t70 58.29 16.74 4.2 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.454 0.645 . . . . 0.0 111.253 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.16 3.06 27.98 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.554 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 58.3 t -109.8 128.14 66.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.553 0.216 . . . . 0.0 110.643 178.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.11 121.56 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 27.8 mt-30 -116.53 153.88 31.41 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.862 176.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.561 HD11 HD11 ' A' ' 30' ' ' ILE . 74.3 mt -122.95 127.91 49.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.895 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.429 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . 10.4 ttp180 -110.56 115.19 29.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.082 0.468 . . . . 0.0 109.919 171.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.917 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 174.893 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.98 0.419 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 94.3 m95 -71.77 87.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 171.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 44.5 tptt -73.14 113.16 9.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.453 -175.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.05 115.24 13.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.052 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 mm -91.09 -81.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.874 -175.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.5 m -140.19 170.58 15.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.153 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 57.1 mtpt -79.07 144.85 34.2 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 99' ' ' VAL . 18.1 tt -68.62 -7.53 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.632 0.729 . . . . 0.0 110.279 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.88 -19.53 60.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.019 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -86.54 -42.78 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mt -79.87 104.91 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.039 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.18 156.6 91.62 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.617 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.57 142.85 95.67 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.493 2.128 . . . . 0.0 111.84 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 67.32 30.7 6.91 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.913 0.758 . . . . 0.0 110.785 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 m -127.34 136.33 51.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.525 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.76 136.01 10.42 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -126.0 158.26 35.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.856 0.36 . . . . 0.0 111.24 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -103.93 108.5 19.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.375 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.03 151.26 20.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.542 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -100.83 100.29 10.92 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -97.93 85.22 3.47 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.1 -116.88 4.91 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -168.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -107.47 0.75 23.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.311 0.577 . . . . 0.0 109.85 172.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -85.25 112.86 21.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.044 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -78.92 109.73 13.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.181 0.515 . . . . 0.0 109.767 175.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.55 HG11 HD13 ' A' ' 106' ' ' LEU . 31.4 t -101.91 129.38 53.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.21 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -90.62 106.89 18.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.346 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.522 HD11 HD11 ' A' ' 106' ' ' LEU . 52.1 mt -92.97 113.16 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.567 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.607 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 96.1 m-85 -107.54 122.83 47.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.79 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -106.47 100.12 28.34 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 167.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.497 ' HB2' HD13 ' A' ' 66' ' ' LEU . 73.6 Cg_endo -92.51 -25.01 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.763 2.309 . . . . 0.0 113.179 -177.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -98.64 166.18 11.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.171 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -83.21 -9.74 58.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.434 0.635 . . . . 0.0 109.369 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 m -79.65 -167.28 1.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.904 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -96.18 31.29 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.547 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -105.02 116.01 31.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.641 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.7 m -127.76 153.85 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.299 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -131.55 151.01 51.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.358 -0.383 . . . . 0.0 109.982 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -133.49 128.34 35.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.133 0.492 . . . . 0.0 111.541 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.9 pt -134.2 -176.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.134 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 54' ' ' LEU . 14.4 m -65.27 122.1 16.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 175.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.489 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 9.1 t30 -75.32 -31.74 60.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.795 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.637 HG12 ' O ' ' A' ' 52' ' ' SER . 22.2 mt -109.1 127.77 65.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.398 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -78.11 122.6 85.56 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.146 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 5.8 Cg_endo -87.17 -7.16 7.09 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.094 2.529 . . . . 0.0 113.497 -174.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -90.39 -56.4 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.079 0.466 . . . . 0.0 110.18 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.6 ' HZ ' ' HE2' ' A' ' 73' ' ' LYS . 49.0 t80 -95.32 -10.58 29.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.675 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 42.0 mt-10 65.43 64.4 0.6 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.361 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.6 m -102.45 117.42 34.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.84 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.637 ' O ' HG12 ' A' ' 45' ' ' ILE . 21.1 m -65.5 -42.19 92.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -167.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.701 HG21 ' HD3' ' A' ' 56' ' ' ARG . 6.6 m -128.72 124.01 60.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 43' ' ' SER . 74.9 mt -92.63 -24.28 18.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.084 167.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.607 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 3.4 p -63.77 -28.04 69.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.143 -175.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.701 ' HD3' HG21 ' A' ' 53' ' ' VAL . 69.2 mtp180 -86.99 41.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.843 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.55 164.64 24.61 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.146 -175.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 58' ' ' LEU . 2.8 mm? -81.71 142.76 32.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.79 0.328 . . . . 0.0 111.174 -172.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.25 105.3 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.627 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.99 149.67 32.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.297 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.0 141.73 43.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.729 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 67' ' ' TRP . 51.8 t-80 -129.36 78.2 1.84 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.618 172.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 59.76 18.68 7.49 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.649 174.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.75 -42.9 1.03 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.253 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.58 158.6 18.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 33' ' ' PRO . 88.8 mt -106.51 117.81 35.02 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.153 0.502 . . . . 0.0 110.158 175.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.431 ' CZ2' ' HD3' ' A' ' 78' ' ' ARG . 37.4 m95 -111.1 133.45 53.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.417 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -96.79 127.97 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.108 0.48 . . . . 0.0 110.204 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -111.97 116.89 31.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.486 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 p -80.5 123.18 82.97 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.52 0.06 8.07 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.79 2.326 . . . . 0.0 112.409 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.6 -61.44 2.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.6 ' HE2' ' HZ ' ' A' ' 49' ' ' PHE . 17.7 tptt -131.85 12.52 4.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.016 0.436 . . . . 0.0 109.976 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 62.19 67.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.048 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -110.31 147.49 33.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.79 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' HE3' ' A' ' 67' ' ' TRP . 20.5 ttt180 -124.69 117.91 25.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.152 0.501 . . . . 0.0 111.132 -172.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -119.22 142.08 48.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.441 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.431 ' HD3' ' CZ2' ' A' ' 67' ' ' TRP . 53.0 ttp180 -89.59 95.09 10.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 80' ' ' SER . 2.2 pp -62.61 -17.7 60.77 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.442 ' N ' HD12 ' A' ' 79' ' ' LEU . 45.9 t -62.94 -55.49 25.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.606 0.241 . . . . 0.0 111.022 -178.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -110.05 -12.88 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.571 0.224 . . . . 0.0 111.481 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.47 14.24 51.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.781 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.513 HD11 ' HG3' ' A' ' 88' ' ' GLU . 13.7 tp -77.45 145.29 37.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.769 0.318 . . . . 0.0 110.693 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.53 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 23.2 t -100.16 145.35 28.12 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 171.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.3 ttt -60.92 -62.62 1.73 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -173.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -12.74 30.61 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.53 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 11.9 t70 -98.26 10.74 39.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 109.759 176.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.513 ' HG3' HD11 ' A' ' 83' ' ' LEU . 35.1 tt0 -34.29 -38.17 0.06 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.758 1.223 . . . . 0.0 113.972 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.3 pm0 -59.47 -23.12 62.47 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -132.1 -65.41 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.222 -0.299 . . . . 0.0 110.943 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.3 m 69.35 179.88 0.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 112.288 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 m -91.24 -179.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.588 -174.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -90.05 124.79 35.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.853 -175.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -90.01 136.65 32.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.34 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.411 ' CD1' HG13 ' A' ' 28' ' ' VAL . 67.3 m-85 -109.52 135.7 50.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 37.6 mm-40 -77.49 120.4 22.42 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.277 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.74 146.26 42.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.975 0.417 . . . . 0.0 111.524 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -150.23 156.49 41.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.594 173.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.423 HG21 HD12 ' A' ' 10' ' ' ILE . 63.5 t -104.3 99.85 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.125 0.488 . . . . 0.0 110.247 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -94.03 105.18 17.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.488 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.8 t70 63.14 11.01 4.94 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.547 0.689 . . . . 0.0 110.869 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.34 -4.27 26.66 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.354 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 59.6 t -102.12 130.92 51.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.886 0.343 . . . . 0.0 110.642 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 t -76.7 118.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 73.8 mt-30 -114.07 133.89 55.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.795 0.331 . . . . 0.0 110.735 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.55 HD13 HG11 ' A' ' 28' ' ' VAL . 45.4 mt -117.42 119.97 36.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.684 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.535 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 23.5 ttp180 -91.6 117.2 29.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.131 0.491 . . . . 0.0 110.102 173.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.838 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.352 178.561 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -84.7 102.36 12.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.018 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -79.71 125.82 30.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.915 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.09 138.49 49.79 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.445 HG13 HD11 ' A' ' 30' ' ' ILE . 50.1 mm -111.45 -72.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.424 0.631 . . . . 0.0 110.318 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.8 p -156.86 -165.05 1.76 Allowed 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -101.65 161.79 13.38 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.431 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.4 tp -65.9 -12.55 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.705 0.764 . . . . 0.0 110.031 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.46 -31.16 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.546 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.31 -37.42 77.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.498 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 mt -100.34 112.44 33.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.238 -173.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 80.2 mt -77.8 168.95 23.43 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.318 178.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.681 ' HG3' ' HB3' ' A' ' 35' ' ' HIS . 98.6 Cg_exo -50.66 133.77 39.14 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.766 2.311 . . . . 0.0 113.087 174.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.0 mp0 52.35 56.81 7.17 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.933 0.771 . . . . 0.0 111.053 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -136.34 147.15 47.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.779 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.77 137.37 10.82 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.938 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.1 m -118.76 167.06 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.665 0.269 . . . . 0.0 111.139 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -109.5 112.13 24.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.416 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.62 177.41 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.7 mt -123.66 132.61 53.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.952 0.406 . . . . 0.0 111.148 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -121.69 95.71 4.78 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.06 -120.72 10.83 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.434 -0.889 . . . . 0.0 110.943 -171.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -93.65 -22.43 18.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.022 0.439 . . . . 0.0 110.898 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.72 139.5 30.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.167 0.508 . . . . 0.0 111.343 -176.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -85.24 143.63 28.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.991 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.407 ' CG1' ' HB1' ' A' ' 41' ' ' ALA . 76.5 t -131.48 127.58 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.896 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.22 115.31 25.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.748 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.496 HD11 HD11 ' A' ' 106' ' ' LEU . 54.3 mt -97.93 116.42 40.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.62 131.63 54.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.697 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -103.19 99.96 16.14 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 171.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -85.36 -23.09 2.42 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.796 2.331 . . . . 0.0 112.5 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -117.71 130.4 56.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.681 ' HB3' ' HG3' ' A' ' 15' ' ' PRO . 2.5 p-80 -80.99 56.42 2.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.229 0.538 . . . . 0.0 111.056 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 p -135.18 -85.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.161 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.0 -35.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.685 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.82 114.74 4.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.111 -171.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.97 156.17 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.018 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -137.57 147.21 44.9 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' CG1' ' A' ' 28' ' ' VAL . . . -119.86 137.73 53.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.645 0.259 . . . . 0.0 111.326 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 93' ' ' LYS . 24.3 pt -144.36 -172.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.054 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 m -73.2 141.56 47.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.486 0.184 . . . . 0.0 111.149 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.52 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 6.1 m120 -78.1 -42.41 32.12 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.077 0.465 . . . . 0.0 110.477 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 51' ' ' SER . 25.9 mm -103.72 141.48 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.459 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.624 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -59.17 116.14 14.79 Favored Pre-proline 0 N--CA 1.466 0.36 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 170.344 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.85 -55.47 0.41 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.253 1.969 . . . . 0.0 112.078 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -91.64 -7.36 50.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.792 -174.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.624 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 85.6 t80 -114.19 -27.63 7.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -175.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 65.23 93.19 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.461 0.648 . . . . 0.0 111.189 -176.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 45' ' ' ILE . 98.1 p -126.55 -165.6 1.47 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 m -102.94 -168.68 1.55 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -68.39 124.61 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.491 0.662 . . . . 0.0 111.415 -175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 40.1 mt -74.04 -10.6 59.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.34 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 m -61.31 -22.81 65.23 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.503 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -97.18 41.28 1.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.443 0.64 . . . . 0.0 110.333 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.68 164.56 24.66 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.526 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 58' ' ' LEU . 2.3 mm? -95.46 126.78 40.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.849 0.357 . . . . 0.0 111.271 -168.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 16' ' ' GLU . 68.5 mt -78.5 123.93 36.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -136.15 -171.86 2.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.725 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -122.74 129.21 51.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.31 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -101.18 -43.9 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.589 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -152.48 60.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.155 0.503 . . . . 0.0 110.46 -178.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.62 -28.83 2.69 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.013 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -88.63 146.71 24.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.53 112.7 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.505 0.669 . . . . 0.0 110.854 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 24.9 m95 -111.13 152.17 27.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.068 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.9 p -96.47 125.82 49.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.177 0.513 . . . . 0.0 109.677 176.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -97.39 103.65 15.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.402 ' OG ' HD22 ' A' ' 54' ' ' LEU . 13.5 m -78.12 125.19 85.55 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.937 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 32.7 Cg_exo -58.66 -27.06 81.87 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.694 2.262 . . . . 0.0 111.697 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -81.61 116.73 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.015 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 75' ' ' GLN . 1.8 tmmt? 71.03 -6.81 1.22 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.246 0.619 . . . . 0.0 111.913 175.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm 64.98 28.66 12.5 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.044 0.45 . . . . 0.0 111.354 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 73' ' ' LYS . 11.7 pt20 -71.55 154.48 41.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.122 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -126.92 120.94 30.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.796 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.455 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 64.0 m-85 -118.05 130.97 56.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.253 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -91.14 97.24 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 79' ' ' LEU . 1.2 pp -65.28 -14.47 60.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.582 -173.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m -66.65 -46.88 74.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.534 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -117.54 -29.96 5.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.582 0.23 . . . . 0.0 111.117 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.0 -1.56 19.54 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.527 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.99 135.82 52.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 0.0 111.024 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 16.7 m -110.67 137.39 48.4 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 19.0 ttt -75.57 -62.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.77 0.319 . . . . 0.0 111.721 -172.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -84.87 -32.25 23.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.601 0.715 . . . . 0.0 109.82 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.452 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 1.0 OUTLIER -83.29 10.23 8.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.923 -178.462 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -42.65 -31.31 0.44 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.095 1.358 . . . . 0.0 113.408 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -53.71 -37.14 62.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.193 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -149.56 69.42 1.04 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 110.151 -176.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.695 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 59.9 m -52.0 157.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.444 174.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.7 m -90.3 167.74 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -169.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 52.6 mtpt -76.01 117.0 17.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.64 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -97.1 115.04 26.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.082 0.468 . . . . 0.0 110.296 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -99.64 152.63 19.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.522 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.67 131.5 37.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.724 0.297 . . . . 0.0 110.601 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.8 141.53 50.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.305 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -149.78 159.43 44.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.707 0.289 . . . . 0.0 110.42 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.62 111.41 32.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.658 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' HG2' ' OD1' ' A' ' 101' ' ' ASP . 49.8 tttm -110.87 113.54 26.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.275 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.415 ' OD1' ' HG2' ' A' ' 100' ' ' LYS . 3.7 m-20 62.8 17.96 10.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.126 0.488 . . . . 0.0 110.218 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.53 -1.19 58.43 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.418 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.9 t -108.59 128.21 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.614 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.83 127.6 37.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.409 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -119.48 153.52 35.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.469 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 30' ' ' ILE . 88.8 mt -124.7 133.07 53.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.013 178.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -117.14 104.69 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 170.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.672 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.219 -178.138 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 C--O 1.234 0.265 0 CA-C-O 120.707 0.289 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -63.4 94.14 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.186 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -82.8 124.55 30.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.889 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -72.35 115.05 11.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.593 175.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.0 mm -88.94 -75.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.267 0.556 . . . . 0.0 110.714 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.7 m -150.06 -172.57 4.2 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 22.7 mtpt -92.02 157.73 16.62 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.928 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.494 HD11 ' HD2' ' A' ' 32' ' ' ARG . 11.0 tp -69.74 -15.19 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.327 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -65.45 -25.17 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.511 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -87.78 -10.12 51.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.239 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -117.32 113.86 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 90.6 mt -86.11 162.0 47.79 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.641 0.257 . . . . 0.0 111.132 -175.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 19.5 Cg_endo -60.08 122.91 12.12 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 122.428 2.085 . . . . 0.0 111.974 175.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 59' ' ' ILE . 69.4 mt-10 76.94 31.72 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.309 1.044 . . . . 0.0 111.895 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.3 p -130.55 161.12 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.704 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -136.48 139.7 10.87 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.616 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -120.59 160.99 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 m -93.85 109.3 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.552 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.82 27.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.048 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.1 104.97 14.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.074 0.464 . . . . 0.0 111.015 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.3 tp -91.07 95.03 9.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 175.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.72 -95.42 0.9 Allowed Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -169.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.53 -4.97 4.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.333 0.587 . . . . 0.0 110.117 169.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -80.49 132.66 35.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.016 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.36 115.88 25.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.687 0.756 . . . . 0.0 111.487 -176.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.7 t -107.47 132.76 54.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.698 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.53 109.96 21.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.705 0.288 . . . . 0.0 110.342 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.51 HD11 HD11 ' A' ' 106' ' ' LEU . 61.3 mt -96.82 108.95 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.961 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.455 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 94.2 m-85 -102.79 123.9 47.31 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HD2' HD11 ' A' ' 10' ' ' ILE . 77.0 ttt180 -101.54 99.94 12.77 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 169.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 87.0 Cg_endo -93.11 -19.08 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.726 2.284 . . . . 0.0 112.827 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -102.22 165.84 10.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.062 0.458 . . . . 0.0 110.769 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -79.66 -26.89 40.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 m -83.14 -162.43 0.61 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.305 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -80.99 13.41 2.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.095 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -85.57 103.77 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.034 0.445 . . . . 0.0 110.96 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.23 152.61 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.31 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.91 129.99 39.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.293 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 95' ' ' TYR . . . -111.43 130.17 55.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.041 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 pt -137.74 -172.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.232 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.494 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 35.3 t -68.65 149.58 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.61 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 64.9 t30 -95.54 -11.58 27.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -176.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 51' ' ' SER . 48.5 mm -119.65 142.68 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 4.5 m-20 -73.09 152.76 90.67 Favored Pre-proline 0 N--CA 1.472 0.629 0 CA-C-O 120.661 0.267 . . . . 0.0 110.997 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 6.0 Cg_exo -79.09 -79.44 0.0 OUTLIER 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 123.298 2.665 . . . . 0.0 113.487 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 90' ' ' PHE . 18.9 m-85 -81.16 -38.36 27.27 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.034 0.445 . . . . 0.0 110.322 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.532 ' CZ ' ' HE2' ' A' ' 73' ' ' LYS . 13.9 t80 -65.53 -31.88 73.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.282 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 43.25 75.18 0.1 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.323 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 45' ' ' ILE . 1.9 t -119.78 -165.61 1.19 Allowed 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 173.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -88.28 -153.65 0.25 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.228 0.537 . . . . 0.0 111.292 -173.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 44' ' ' ASN . 19.1 m -68.04 134.27 30.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.273 -171.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.4 mt -80.06 -11.7 59.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.216 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -59.29 -28.08 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.297 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -91.46 40.41 1.03 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.041 0.448 . . . . 0.0 110.09 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.48 164.74 24.59 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.747 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.4 pt? -102.43 162.28 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.037 0.446 . . . . 0.0 110.783 -176.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 16' ' ' GLU . 72.9 mt -114.56 133.57 60.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.619 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.03 151.27 50.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.4 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -95.88 130.35 42.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.126 0.489 . . . . 0.0 111.694 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -77.47 -59.97 2.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.01 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 178.33 92.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.99 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.97 3.25 84.28 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -173.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -129.41 124.29 33.79 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 91.2 mt -95.59 113.09 24.71 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.253 0.549 . . . . 0.0 109.914 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -102.81 148.53 25.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.689 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 14.8 p -99.4 137.87 25.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -122.87 114.47 20.52 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.946 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.0 m -78.19 115.59 52.11 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.506 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.35 23.1 0.55 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.921 2.414 . . . . 0.0 112.369 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 mt -80.87 -59.56 2.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.778 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.532 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 30.8 mtmm -134.68 -76.65 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.537 171.312 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 13.5 ptmm? -174.4 97.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.178 0.513 . . . . 0.0 111.326 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.6 pm0 -150.26 145.97 26.52 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.36 122.34 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -171.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 65.7 m-85 -113.41 128.93 56.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.994 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -80.57 101.44 9.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.84 -23.27 42.86 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -173.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.3 t -61.26 -17.28 52.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.381 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 33.0 t70 -143.84 -38.33 0.31 Allowed 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 120.63 0.252 . . . . 0.0 111.441 177.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.63 -1.37 24.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.2 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 tt -76.54 138.52 40.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.09 0.471 . . . . 0.0 110.949 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.505 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 53.8 t -98.93 154.75 17.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.34 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 52.9 ttm -81.9 -41.27 21.16 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.026 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -92.53 -26.93 17.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.981 0.419 . . . . 0.0 111.029 -176.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 9.6 m-20 -96.21 10.7 36.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.656 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 36.3 tt0 -34.03 -63.67 0.26 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -167.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -61.24 -27.33 68.37 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -171.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.514 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 61.5 t80 -133.74 67.08 1.53 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.525 0.679 . . . . 0.0 109.254 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.424 ' HB3' ' H ' ' A' ' 84' ' ' CYS . 0.3 OUTLIER -80.89 -168.57 1.83 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.192 179.482 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.494 ' HB ' ' HB3' ' A' ' 43' ' ' SER . 32.9 m -92.31 163.42 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.142 0.496 . . . . 0.0 111.963 -172.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.57 122.28 23.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.516 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 9.8 t-160 -85.88 119.43 26.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.603 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.408 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 80.4 m-85 -92.79 141.57 28.3 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 1.8 mp0 -79.79 107.65 12.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.913 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.45 152.68 32.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.447 -175.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -150.32 153.08 35.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.411 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.9 t -97.76 102.32 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.303 0.573 . . . . 0.0 109.776 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -92.52 96.33 10.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.269 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 60.65 19.38 9.36 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.257 0.348 . . . . 0.0 111.427 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.51 -9.26 28.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.513 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.65 129.51 52.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.536 0.208 . . . . 0.0 110.466 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.47 120.62 33.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -112.76 140.06 47.86 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.284 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 30' ' ' ILE . 65.2 mt -115.18 130.58 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.878 0.371 . . . . 0.0 111.183 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.461 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 10.8 ttp180 -111.42 117.67 33.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 171.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.813 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.134 179.631 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 5.9 tp60 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.478 0.656 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.426 ' CE2' ' HD3' ' A' ' 107' ' ' ARG . 96.2 m95 -91.7 90.49 7.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.925 172.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -95.19 131.3 41.39 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.832 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.456 ' HA ' ' HG2' ' A' ' 105' ' ' GLN . 7.0 p-10 -72.07 138.12 47.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.878 175.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.467 HG21 ' HB1' ' A' ' 21' ' ' ALA . 30.5 mm -102.24 -67.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.615 0.721 . . . . 0.0 109.445 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.0 p -155.43 174.74 14.82 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.47 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 9.8 mtmp? -73.74 154.23 39.69 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.653 HD12 HG21 ' A' ' 99' ' ' VAL . 19.3 tt -72.33 -11.88 15.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.918 0.865 . . . . 0.0 109.145 175.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.41 -28.39 67.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.565 174.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.459 ' OD1' ' HB2' ' A' ' 9' ' ' LYS . 4.6 m-20 -77.3 -29.77 53.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.884 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mt -105.37 103.81 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.386 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.35 156.57 91.68 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.442 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HB3' ' HA ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -60.36 146.58 96.35 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.329 2.019 . . . . 0.0 111.706 175.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 15' ' ' PRO . 25.5 mm-40 67.29 29.84 7.38 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.656 0.597 . . . . 0.0 110.628 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -130.59 144.21 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.83 133.01 7.44 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -128.7 171.44 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.783 0.325 . . . . 0.0 111.153 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -97.93 130.22 44.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.723 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB1' HG21 ' A' ' 7' ' ' ILE . . . -127.62 167.94 15.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.35 120.38 26.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.315 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.674 HD13 ' HB2' ' A' ' 106' ' ' LEU . 52.3 tp -96.69 85.84 3.94 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.16 -88.01 1.09 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -129.5 -4.65 4.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.384 0.611 . . . . 0.0 110.115 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -82.02 141.04 33.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.643 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -88.07 122.72 31.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.932 0.396 . . . . 0.0 110.539 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.436 HG11 HD13 ' A' ' 106' ' ' LEU . 44.2 t -129.37 139.38 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.412 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.79 116.9 33.74 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 106' ' ' LEU . 58.1 mt -103.28 122.83 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.05 0.452 . . . . 0.0 110.553 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 81.0 m-85 -115.87 129.45 56.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.16 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -111.7 99.9 46.46 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HB3' HG21 ' A' ' 59' ' ' ILE . 1.2 Cg_endo -83.14 -37.78 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.047 2.498 . . . . 0.0 112.335 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -90.34 160.29 16.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.224 0.535 . . . . 0.0 111.107 -175.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 11.5 m170 -76.45 -15.99 59.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.826 174.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 p -87.2 -163.24 0.89 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.203 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.446 ' HB2' ' HB ' ' A' ' 99' ' ' VAL . 7.7 p-10 -85.57 11.46 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.474 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -83.55 97.68 9.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.078 0.466 . . . . 0.0 110.965 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -115.37 155.31 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.298 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -127.5 141.53 51.63 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.65 130.22 37.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.893 0.378 . . . . 0.0 111.387 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.6 pt -138.65 172.35 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.94 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.643 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 20.0 p -64.83 136.48 56.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -84.06 -6.72 59.46 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -171.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 51' ' ' SER . 67.6 mt -109.84 123.11 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.593 0.235 . . . . 0.0 111.084 -176.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.844 ' HB2' ' H ' ' A' ' 50' ' ' GLU . 1.3 m-20 -61.83 132.93 93.55 Favored Pre-proline 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 177.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD3' HG12 ' A' ' 92' ' ' VAL . 2.8 Cg_endo -82.26 -13.66 9.89 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.282 1.988 . . . . 0.0 110.324 168.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.847 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 87.4 t80 -89.24 -55.32 3.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.289 -177.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -111.08 -22.11 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.085 -175.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.844 ' H ' ' HB2' ' A' ' 46' ' ' ASP . 39.1 mt-10 69.06 73.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.155 0.582 . . . . 0.0 112.211 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.469 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 48.4 t -109.09 161.68 14.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 171.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 p -87.3 -30.72 20.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 0.0 111.698 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.4 m -128.64 124.54 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.478 0.656 . . . . 0.0 111.829 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.8 mt -92.31 -7.62 47.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.932 170.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.451 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 6.0 m -74.83 0.84 14.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.482 -174.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -104.23 40.55 1.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.613 0.72 . . . . 0.0 109.725 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.88 164.58 24.72 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.958 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -96.41 139.59 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.737 0.303 . . . . 0.0 110.36 -177.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.537 HG21 ' HB3' ' A' ' 33' ' ' PRO . 61.2 mt -92.38 120.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.084 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.47 164.97 25.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.484 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -101.12 127.82 47.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.957 0.408 . . . . 0.0 111.106 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 11.6 t-160 -76.61 -49.95 15.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.386 175.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 47.5 tp60 174.57 78.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.226 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.5 -31.24 4.59 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.46 -171.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -88.63 145.07 25.89 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 122.411 0.285 . . . . 0.0 110.63 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.97 119.23 38.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.179 0.514 . . . . 0.0 110.335 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.604 ' HZ3' ' HB2' ' A' ' 85' ' ' MET . 31.6 m95 -116.8 140.41 49.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.007 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.67 124.64 49.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.04 107.49 15.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.409 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.529 ' HB3' HD13 ' A' ' 72' ' ' LEU . 38.5 m -84.3 119.58 73.35 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.56 3.21 3.3 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.728 2.286 . . . . 0.0 112.46 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 70' ' ' SER . 7.4 mp -64.59 -72.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.863 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 26.8 mmtp -129.94 25.98 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 111.262 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.0 tptm 71.64 25.43 3.3 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.014 168.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.406 ' HG2' ' HB2' ' A' ' 70' ' ' SER . 1.4 pm0 -74.54 139.42 43.77 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.764 0.316 . . . . 0.0 110.356 177.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -127.03 132.37 50.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.744 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.404 ' HE1' ' HG3' ' A' ' 75' ' ' GLN . 79.2 m-85 -129.66 135.08 48.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.71 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -84.1 112.9 20.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.42 -26.3 68.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -170.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.7 m -68.74 -49.45 58.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -114.22 -17.39 11.87 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.05 14.52 51.56 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.416 HD12 ' OG ' ' A' ' 91' ' ' SER . 30.1 tp -72.16 134.83 45.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.828 0.347 . . . . 0.0 110.774 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.7 t -99.86 136.36 39.89 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 173.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.604 ' HB2' ' HZ3' ' A' ' 67' ' ' TRP . 16.5 ttt -67.74 -34.99 77.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.121 0.486 . . . . 0.0 110.352 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -87.89 -47.67 8.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.564 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.847 ' HB2' ' HB2' ' A' ' 48' ' ' PHE . 24.1 t70 -89.58 10.95 21.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.798 -174.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -37.62 -26.18 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -49.34 -38.59 28.52 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 122.825 0.45 . . . . 0.0 112.14 172.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -134.27 -52.75 0.83 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.137 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.416 ' OG ' HD12 ' A' ' 83' ' ' LEU . 48.7 m 72.04 -179.45 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.379 0.671 . . . . 0.0 111.893 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.643 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 31.6 m -92.12 -178.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.166 0.508 . . . . 0.0 111.854 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -97.99 119.84 37.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.866 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -90.95 134.81 34.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.74 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.417 ' CD2' ' HA3' ' A' ' 108' ' ' GLY . 76.8 m-85 -107.32 145.45 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.872 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -82.72 119.21 24.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.38 136.41 52.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.561 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -135.83 144.99 45.98 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.653 HG21 HD12 ' A' ' 10' ' ' ILE . 59.3 t -98.16 102.26 13.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -97.44 108.95 21.78 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.403 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.5 t70 62.74 25.22 14.99 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.535 0.683 . . . . 0.0 110.619 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.83 2.89 64.5 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.82 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 62.4 t -113.18 128.63 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.866 0.333 . . . . 0.0 110.37 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 t -75.09 119.92 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 6' ' ' ASP . 89.7 mt-30 -117.89 143.09 46.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.536 176.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.674 ' HB2' HD13 ' A' ' 23' ' ' LEU . 69.5 mt -120.04 139.12 53.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.426 ' HD3' ' CE2' ' A' ' 4' ' ' TRP . 8.4 ttp180 -115.69 115.64 26.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 172.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.417 ' HA3' ' CD2' ' A' ' 95' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.636 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.135 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.518 0.675 . . . . 0.0 109.715 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.504 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 97.7 m95 -80.57 92.73 5.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.986 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.74 116.8 17.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.399 -177.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.41 112.39 2.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.642 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.491 HD12 ' HB1' ' A' ' 21' ' ' ALA . 40.5 mm -87.36 -70.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.192 0.52 . . . . 0.0 110.118 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 p -157.14 177.87 10.99 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HG2' HG22 ' A' ' 103' ' ' VAL . 47.0 mtpt -87.9 161.03 17.7 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.079 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.97 -10.58 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 121.461 0.648 . . . . 0.0 110.71 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.42 -21.85 60.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.104 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -85.3 -44.97 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.915 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.673 HD12 HG21 ' A' ' 104' ' ' VAL . 41.5 mt -94.79 101.32 12.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.725 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.875 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -85.65 171.92 9.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.727 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.564 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 55.9 Cg_exo -53.17 138.46 63.37 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.653 2.235 . . . . 0.0 112.468 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 59' ' ' ILE . 73.9 mt-10 51.24 62.17 2.85 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.967 -175.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.663 ' OG1' ' HG ' ' A' ' 14' ' ' LEU . 24.2 m -144.86 136.13 25.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.12 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -125.02 132.85 8.25 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.782 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 m -117.91 169.7 8.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.837 0.351 . . . . 0.0 110.758 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -104.34 128.95 52.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.659 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB1' HD12 ' A' ' 7' ' ' ILE . . . -127.53 143.76 51.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.718 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.59 108.14 19.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.6 tp -93.86 91.88 7.15 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.92 -90.09 0.49 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 -174.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -129.59 0.67 4.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.237 0.541 . . . . 0.0 109.938 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -95.59 128.13 42.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.958 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -77.89 123.3 26.6 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.467 HG11 HD11 ' A' ' 106' ' ' LEU . 44.1 t -123.13 138.17 54.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.037 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' HB2' ' OD1' ' A' ' 44' ' ' ASN . . . -101.2 118.79 37.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.444 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CD1' HG13 ' A' ' 7' ' ' ILE . 61.2 mt -103.01 114.46 42.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.016 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.456 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 96.4 m-85 -112.13 130.59 55.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.472 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.53 ' HB2' HG12 ' A' ' 39' ' ' VAL . 79.5 ttt180 -101.93 99.98 13.6 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 170.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HB2' HD13 ' A' ' 66' ' ' LEU . 63.0 Cg_endo -95.06 -3.5 2.3 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.978 2.452 . . . . 0.0 112.853 -178.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -107.17 154.36 21.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.54 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -73.81 -22.57 59.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 p -85.09 -163.83 0.9 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.708 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -85.31 14.68 5.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.502 0.321 . . . . 0.0 111.464 -174.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -83.82 110.71 18.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.108 0.48 . . . . 0.0 111.179 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 32' ' ' ARG . 31.5 m -119.48 152.99 22.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.411 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -132.25 145.04 51.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.741 0.305 . . . . 0.0 110.322 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.27 136.13 55.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.951 0.405 . . . . 0.0 111.028 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.4 pt -134.88 162.64 38.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.524 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.539 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 18.8 t -57.89 134.15 56.07 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' OD1' ' HB2' ' A' ' 29' ' ' ALA . 59.0 t30 -93.59 11.59 28.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.564 -173.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 52' ' ' SER . 39.6 mm -127.68 136.69 59.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.228 176.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' OD2' ' HB3' ' A' ' 51' ' ' SER . 3.8 m-20 -74.85 129.18 83.9 Favored Pre-proline 0 N--CA 1.468 0.47 0 CA-C-N 117.795 0.271 . . . . 0.0 110.566 175.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.72 -54.55 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.521 2.147 . . . . 0.0 113.762 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -88.41 -41.51 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.004 0.431 . . . . 0.0 110.289 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -71.93 -26.77 62.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.303 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 61.5 79.54 0.25 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.824 0.821 . . . . 0.0 110.585 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.537 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 41.0 t -137.38 163.05 31.96 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.846 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.451 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 40.6 m -93.1 -140.48 0.21 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.638 0.256 . . . . 0.0 111.284 -175.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.3 m -67.71 129.31 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.986 0.898 . . . . 0.0 113.299 -167.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.2 mt -92.46 -7.46 47.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.475 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m -65.6 0.96 1.38 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -172.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.606 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 3.5 tpm_? -110.9 40.72 1.96 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.1 0.476 . . . . 0.0 110.373 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.32 164.82 24.53 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.034 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.739 HD23 ' H ' ' A' ' 58' ' ' LEU . 1.6 pt? -91.37 162.68 14.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.971 -175.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 16' ' ' GLU . 69.1 mt -109.69 126.76 66.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.02 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.87 119.02 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.051 0.453 . . . . 0.0 111.234 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.63 125.42 30.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.793 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.418 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 33.5 m170 -79.24 -84.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.623 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -114.28 -16.37 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.463 0.649 . . . . 0.0 109.955 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.52 -25.94 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.584 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.418 ' OE1' ' HB2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -88.54 145.49 25.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.174 0.511 . . . . 0.0 109.948 176.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 33' ' ' PRO . 28.1 mt -100.08 116.1 31.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.701 -174.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 48.5 m95 -112.93 140.18 47.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.449 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.3 p -100.82 133.69 43.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 172.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.5 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -110.75 115.61 29.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.263 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.722 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . 20.2 m -89.83 120.57 69.4 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.89 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.6 -4.23 8.0 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.223 2.615 . . . . 0.0 112.724 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.74 -51.37 69.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.854 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HB3' ' HE3' ' A' ' 73' ' ' LYS . 23.3 mmmt -141.47 20.69 2.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 -176.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 62.12 36.27 15.28 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -171.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.722 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 63.7 tt0 -73.96 144.27 45.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.415 -1.721 . . . . 0.0 110.881 -170.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -128.68 121.65 29.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.986 0.422 . . . . 0.0 111.906 -172.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.498 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 96.6 m-85 -119.0 132.33 56.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.862 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.516 ' HE ' ' HB3' ' A' ' 81' ' ' ASP . 52.8 ttp180 -85.88 90.16 7.99 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 68' ' ' VAL . 2.9 pp -64.31 -15.6 60.58 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -170.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.9 m -70.2 -19.01 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.828 0.347 . . . . 0.0 110.779 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.516 ' HB3' ' HE ' ' A' ' 78' ' ' ARG . 8.0 t70 -130.7 -46.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.779 -173.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.79 -13.63 9.87 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.657 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.409 HD11 ' HG3' ' A' ' 88' ' ' GLU . 19.6 tp -57.45 134.57 56.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.046 0.45 . . . . 0.0 111.484 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.514 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 43.6 t -106.72 146.52 30.71 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 171.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.0 ttt -77.73 -39.25 45.06 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.192 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' A' ' 75' ' ' GLN . 2.1 pm0 -91.47 -39.71 11.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.63 0.252 . . . . 0.0 111.507 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.514 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 11.3 t70 -82.42 10.51 7.0 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.386 0.612 . . . . 0.0 109.595 177.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' HG3' HD11 ' A' ' 83' ' ' LEU . 38.8 tt0 -34.89 -32.57 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.053 1.341 . . . . 0.0 114.143 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -57.84 -39.24 77.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.616 0.246 . . . . 0.0 111.64 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -118.81 -54.75 2.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.156 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.5 m 71.9 167.3 0.31 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.796 0.685 . . . . 0.0 110.909 -175.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 43' ' ' SER . 27.7 m -90.63 145.96 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.404 0.621 . . . . 0.0 111.606 -173.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -64.48 122.66 17.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.23 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -84.8 142.55 29.7 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.452 ' HD1' ' CA ' ' A' ' 108' ' ' GLY . 90.7 m-85 -121.3 163.11 19.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.728 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -99.08 117.55 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.53 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.26 147.06 46.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.829 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -149.2 163.95 36.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.491 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.74 111.03 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -116.39 116.78 28.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.657 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.0 t70 65.19 13.54 8.81 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.868 0.842 . . . . 0.0 110.055 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.84 10.04 58.0 Favored Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.886 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.516 HG22 ' HG2' ' A' ' 9' ' ' LYS . 92.1 t -111.77 129.99 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.673 HG21 HD12 ' A' ' 13' ' ' ILE . 24.7 t -76.39 114.41 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.504 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 70.1 mt-30 -108.51 144.06 36.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.467 HD11 HG11 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -121.97 119.49 31.63 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.548 -177.169 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.44 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . 38.0 ttp85 -111.5 119.77 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.452 ' CA ' ' HD1' ' A' ' 95' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.923 0 C-N-CA 120.083 -1.056 . . . . 0.0 112.613 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.824 ' N ' HE21 ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.953 0.406 . . . . 0.0 110.599 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 96.6 m95 -86.61 98.25 10.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -76.3 129.36 36.54 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.223 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.77 98.46 5.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.438 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 mm -78.77 -81.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.928 0.394 . . . . 0.0 111.088 -174.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.9 p -152.41 169.11 23.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.53 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 48.5 mtmt -76.46 147.61 37.78 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.541 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.421 HD11 ' HD2' ' A' ' 32' ' ' ARG . 10.9 tp -63.07 -18.14 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.521 0.677 . . . . 0.0 110.06 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.75 -29.59 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.837 177.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.36 -52.79 9.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 111.408 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -75.41 110.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.048 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.9 mt -73.9 157.76 86.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.789 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.545 ' HB3' ' HA ' ' A' ' 35' ' ' HIS . 13.6 Cg_endo -56.18 136.15 73.69 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.794 2.329 . . . . 0.0 111.664 175.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 63.74 44.49 4.98 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.739 0.649 . . . . 0.0 111.361 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 m -135.98 133.63 37.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.63 134.6 11.22 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 173.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.2 164.1 28.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 111.876 -173.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.0 m -93.52 123.06 36.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.468 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.48 144.58 51.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.046 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.0 mt -102.98 113.65 27.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.006 0.432 . . . . 0.0 110.807 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 tp -94.31 83.21 4.17 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.29 -96.45 0.63 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.506 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.79 -5.71 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -100.35 139.23 36.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.599 -174.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -89.49 110.7 21.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.688 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.405 HG11 HD13 ' A' ' 106' ' ' LEU . 42.3 t -109.56 136.32 45.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.963 0.411 . . . . 0.0 110.75 -176.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.33 108.21 19.5 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.777 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.523 HD11 HD11 ' A' ' 106' ' ' LEU . 60.5 mt -87.62 108.79 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.743 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -102.8 123.39 46.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.777 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HD2' HD11 ' A' ' 10' ' ' ILE . 78.0 ttt180 -104.69 100.27 22.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 74.8 Cg_endo -84.74 -38.33 0.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.619 2.213 . . . . 0.0 113.135 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -93.87 165.6 12.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 41.4 t-80 -79.84 -21.15 44.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.994 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.9 m -84.67 -171.55 3.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.815 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.548 ' HB2' HG21 ' A' ' 99' ' ' VAL . 4.3 p-10 -78.96 68.37 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.847 0.832 . . . . 0.0 111.228 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.473 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 28.8 mm-40 -126.8 107.89 10.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.845 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.8 m -122.25 139.56 48.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.32 132.42 48.63 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.5 128.07 51.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.223 0.535 . . . . 0.0 111.839 -173.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 pt -128.28 176.85 6.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.644 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.1 t -64.23 126.45 27.79 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -73.18 -27.04 61.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.405 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.3 mm -109.58 129.74 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.609 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.3 OUTLIER -89.56 118.32 68.94 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.23 176.643 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -94.5 -0.9 2.83 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.001 2.467 . . . . 0.0 113.741 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -91.48 -57.54 2.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.135 0.493 . . . . 0.0 109.761 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 68.0 t80 -91.95 -5.66 52.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 61.83 74.92 0.43 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.766 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.609 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 10.0 m -117.23 153.02 33.61 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.706 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.467 ' HB2' ' H ' ' A' ' 53' ' ' VAL . 2.8 p -79.0 -145.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.933 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' H ' ' HB2' ' A' ' 52' ' ' SER . 29.0 m -68.15 127.01 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.427 0.632 . . . . 0.0 111.782 -174.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.56 -6.88 58.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.692 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 p -64.34 -22.26 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.436 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 2.0 ptm180 -86.11 40.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.917 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.57 164.73 24.62 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.75 -173.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 pp -96.25 145.14 25.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.976 0.417 . . . . 0.0 111.187 -173.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.56 131.46 60.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.188 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.6 161.43 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.436 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -125.75 136.22 52.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -95.98 -53.81 3.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.092 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -161.19 73.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.06 -27.18 3.13 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.043 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CD ' ' HD2' ' A' ' 78' ' ' ARG . 7.9 tp10 -88.58 135.67 33.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.56 130.21 49.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.392 -172.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.41 ' CZ3' ' HG2' ' A' ' 85' ' ' MET . 89.4 m95 -127.36 135.15 50.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.37 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.547 ' HB ' HD23 ' A' ' 79' ' ' LEU . 7.4 p -111.9 128.0 68.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.031 0.443 . . . . 0.0 110.063 176.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.17 114.69 29.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.22 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.768 ' HB3' HD13 ' A' ' 72' ' ' LEU . 16.9 m -89.77 116.43 66.33 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.702 -177.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.0 Cg_exo -74.2 23.52 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.715 2.943 . . . . 0.0 112.295 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' A' ' 70' ' ' SER . 6.8 mp -83.2 -18.05 40.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.602 0.715 . . . . 0.0 109.135 176.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 74' ' ' LYS . 14.3 tppt? -160.38 -83.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.753 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 73' ' ' LYS . 15.2 tptp -174.99 21.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 175.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -85.5 142.51 29.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.991 -170.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -124.58 134.87 52.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.424 0.631 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -118.95 145.09 46.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.18 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.563 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 19.1 ttp180 -93.72 90.11 6.45 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.547 HD23 ' HB ' ' A' ' 68' ' ' VAL . 2.2 pp -66.36 -13.38 60.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -170.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.411 ' OG ' ' HG2' ' A' ' 78' ' ' ARG . 8.7 p -64.39 -49.03 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.853 0.358 . . . . 0.0 111.02 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -119.77 4.31 11.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.956 0.408 . . . . 0.0 111.232 -178.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.75 38.29 24.19 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.906 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 78' ' ' ARG . 16.6 tp -98.28 145.66 26.43 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 51.9 m -103.68 143.86 32.21 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.41 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 58.9 mtp -64.58 -54.99 23.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.928 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.92 -41.29 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.383 0.611 . . . . 0.0 110.697 -177.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 84' ' ' CYS . 0.7 OUTLIER -82.14 10.4 6.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.975 -176.13 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.515 ' HG3' HD11 ' A' ' 83' ' ' LEU . 34.9 tt0 -33.73 -50.51 0.36 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.544 1.538 . . . . 0.0 114.526 -171.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -60.15 -26.64 66.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -113.71 -59.12 2.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.731 0.3 . . . . 0.0 110.272 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.567 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 64.9 m 63.05 179.76 0.15 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.292 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 m -94.54 178.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.558 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -77.95 126.06 30.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.909 0.385 . . . . 0.0 111.082 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -89.53 127.08 35.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.898 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -102.61 138.07 40.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -88.6 117.27 27.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.017 0.437 . . . . 0.0 110.16 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.54 156.78 27.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.239 -175.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -152.98 157.41 40.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.567 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 37' ' ' ASP . 46.2 t -99.9 103.84 15.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.193 0.52 . . . . 0.0 109.992 175.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -91.43 94.14 9.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.424 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 t70 60.31 24.22 13.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.262 174.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.8 4.62 34.01 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.152 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.578 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 33.4 t -118.26 141.51 37.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.984 0.392 . . . . 0.0 110.332 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 t -82.95 115.62 25.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.779 0.323 . . . . 0.0 110.773 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 10.5 mm100 -105.21 138.58 41.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.859 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.523 HD11 HD11 ' A' ' 30' ' ' ILE . 90.9 mt -121.81 123.58 42.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.894 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 107' ' ' ARG . 42.4 ttp85 -110.52 105.49 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.221 0.534 . . . . 0.0 109.566 171.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.642 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.469 177.903 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 75.3 m95 -61.63 103.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.981 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' HB3' ' HE2' ' A' ' 5' ' ' LYS . 47.2 mtpt -72.6 134.54 45.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.393 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -82.03 107.12 14.48 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.8 mm -87.12 -73.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.1 0.476 . . . . 0.0 110.939 -176.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 t -161.26 168.87 23.25 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 54.4 mmtt -69.06 148.79 49.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.502 HD11 ' HD2' ' A' ' 32' ' ' ARG . 10.7 tp -69.69 -13.85 17.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.66 0.743 . . . . 0.0 109.942 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.67 -27.14 67.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.865 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.78 -40.94 46.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.743 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.511 HD12 HG21 ' A' ' 104' ' ' VAL . 41.1 mt -90.48 109.37 20.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.36 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 83.1 mt -79.22 166.72 39.94 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 16.0 Cg_endo -59.48 144.58 99.38 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.306 2.004 . . . . 0.0 111.972 174.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 59' ' ' ILE . 43.0 mt-10 62.36 28.26 16.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.307 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 m -121.34 136.74 54.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.918 0.39 . . . . 0.0 111.284 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -121.28 143.04 15.83 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.28 157.5 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.845 0.322 . . . . 0.0 110.724 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -97.07 131.51 43.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.901 0.382 . . . . 0.0 110.858 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.33 178.34 7.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.654 176.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.31 138.44 54.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.917 0.389 . . . . 0.0 111.036 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.402 HD12 ' HB3' ' A' ' 106' ' ' LEU . 4.9 tt -141.03 101.4 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.62 -103.18 2.51 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -177.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -129.49 1.44 5.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.071 0.462 . . . . 0.0 110.084 174.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -103.09 144.75 30.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.823 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.424 ' H ' ' CD ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -86.24 124.6 32.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.852 176.182 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -109.05 133.32 54.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.427 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.02 114.46 27.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.851 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.523 HD11 HD11 ' A' ' 106' ' ' LEU . 46.2 mt -94.55 111.52 25.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.07 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.432 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 97.5 m-85 -108.37 125.5 51.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 -178.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.502 ' HD2' HD11 ' A' ' 10' ' ' ILE . 76.1 ttt180 -101.16 100.13 12.54 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.476 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 87.1 Cg_endo -86.7 -38.71 0.08 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.589 2.193 . . . . 0.0 113.005 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.417 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 96.6 m-85 -90.1 164.32 14.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.764 0.316 . . . . 0.0 110.423 -178.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 2.1 t60 -79.71 -9.54 59.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.196 0.522 . . . . 0.0 110.284 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -100.57 -155.7 0.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.15 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -82.15 0.75 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.72 0.408 . . . . 0.0 111.822 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.476 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 46.2 mt-30 -70.57 106.07 3.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.847 0.356 . . . . 0.0 110.739 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 m -126.83 154.44 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.873 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -140.47 149.55 42.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.43 140.78 47.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.942 0.401 . . . . 0.0 111.244 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.2 pt -139.98 173.4 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.66 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.61 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 13.9 p -64.35 134.18 54.11 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.551 HD21 HG12 ' A' ' 53' ' ' VAL . 66.7 t30 -80.62 6.15 13.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.634 -172.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.1 129.86 61.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.663 ' HB2' HD21 ' A' ' 54' ' ' LEU . 5.1 t70 -92.08 114.46 62.2 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 169.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.55 -1.57 9.67 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.475 2.117 . . . . 0.0 113.862 -174.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -91.51 -58.47 2.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.967 0.413 . . . . 0.0 110.349 -178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -96.01 -5.24 41.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.094 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 65.97 54.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.485 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 46' ' ' ASP . 13.1 p -102.53 129.77 49.17 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -12.27 60.02 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.551 HG12 HD21 ' A' ' 44' ' ' ASN . 13.7 m -128.69 123.94 60.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.235 -0.586 . . . . 0.0 112.171 175.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 46' ' ' ASP . 74.6 mt -92.64 -18.06 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 166.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -65.2 -12.93 56.48 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.384 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 6.8 tpm_? -99.01 41.24 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.492 0.663 . . . . 0.0 109.849 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.55 164.63 24.61 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.662 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.4 149.28 21.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.845 0.355 . . . . 0.0 110.755 -173.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 16' ' ' GLU . 66.1 mt -94.92 117.5 38.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.037 177.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.76 130.49 55.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.498 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HG2' ' H ' ' A' ' 62' ' ' HIS . 26.7 tt0 -77.34 171.64 14.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.884 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.42 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 17.4 t-80 -145.61 -85.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 174.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -129.49 76.06 1.7 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.77 -18.84 6.83 Favored Glycine 0 CA--C 1.517 0.216 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.725 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -88.69 142.52 27.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.333 -0.434 . . . . 0.0 109.838 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 95.2 mt -112.42 106.99 15.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.201 0.524 . . . . 0.0 109.726 174.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -96.63 148.67 22.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.02 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 8.2 p -98.84 127.5 51.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 171.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -112.32 123.78 51.03 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.945 -176.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.3 m -78.01 113.55 34.15 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.898 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.05 -6.81 16.94 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.865 2.377 . . . . 0.0 112.959 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 72' ' ' LEU . 6.1 mp -63.8 -37.37 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.004 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.941 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 4.8 mmpt? -146.46 -99.27 0.09 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.34 175.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -150.04 14.69 0.82 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.48 ' OE1' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -73.76 127.24 32.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.396 -175.203 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 76' ' ' ARG . 55.4 mtt180 -113.97 128.59 56.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.264 173.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.448 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 61.7 m-85 -116.68 126.99 54.0 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -83.85 115.43 22.25 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.48 -22.71 63.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.337 -172.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -60.31 -57.46 12.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.334 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.69 -28.31 12.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.383 -175.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.63 20.58 36.98 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -168.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 88' ' ' GLU . 7.3 tp -84.18 141.04 31.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.775 -0.712 . . . . 0.0 110.774 -177.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.664 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 41.0 m -85.21 146.02 27.3 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 172.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.4 ttt -57.78 -72.07 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.525 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -92.79 -25.58 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.165 0.507 . . . . 0.0 110.961 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.512 ' HB3' ' HD2' ' A' ' 90' ' ' PHE . 18.7 m-20 -85.0 10.5 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.277 -177.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.428 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.0 pt-20 -37.03 -35.05 0.09 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -176.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.36 -21.86 66.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.749 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.512 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 31.1 m-85 -93.96 -72.39 0.61 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.664 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 70.5 m 61.89 176.32 0.12 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.157 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.61 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 35.4 m -121.98 172.88 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.08 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HE2' ' CE1' ' A' ' 95' ' ' TYR . 7.6 ttpm? -85.57 131.6 34.33 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -88.68 143.45 26.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.068 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.452 ' CE1' ' HE2' ' A' ' 93' ' ' LYS . 66.6 m-85 -119.16 126.98 52.87 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.0 125.82 28.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.697 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -125.45 139.68 53.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.103 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -152.3 165.49 34.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.076 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.2 t -97.28 116.84 40.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.208 0.527 . . . . 0.0 110.839 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.633 ' HZ2' ' HB3' ' A' ' 100' ' ' LYS . 2.1 ttpm? -117.92 110.9 18.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.448 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 60.32 28.1 17.69 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 122.163 0.982 . . . . 0.0 109.59 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.59 -5.31 83.82 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.108 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 38.7 t -100.86 135.48 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.916 0.358 . . . . 0.0 110.474 -176.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 13' ' ' ILE . 43.7 t -74.43 118.64 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.319 177.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.541 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 11.8 mm100 -100.9 142.78 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.507 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.523 HD11 HD11 ' A' ' 30' ' ' ILE . 35.3 mt -122.92 124.71 43.82 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.468 0.48 . . . . 0.0 111.372 176.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -115.71 123.11 47.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 172.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.639 0 C-N-CA 120.002 -1.094 . . . . 0.0 112.796 -178.348 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.649 0.262 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.503 ' CE2' ' HD3' ' A' ' 107' ' ' ARG . 86.1 m95 -70.4 99.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -93.15 117.46 30.09 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.88 106.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.874 170.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.448 HD12 ' HB1' ' A' ' 21' ' ' ALA . 43.4 mm -80.99 -70.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.292 0.568 . . . . 0.0 110.644 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 t -159.15 169.53 23.98 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HG2' HG22 ' A' ' 103' ' ' VAL . 96.0 mttt -83.11 151.27 25.82 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.05 0.452 . . . . 0.0 110.528 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tp -66.24 -7.86 6.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.51 0.672 . . . . 0.0 110.551 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.35 -22.05 61.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.539 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.31 -38.83 13.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.083 0.468 . . . . 0.0 110.922 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.652 HD12 HG21 ' A' ' 104' ' ' VAL . 39.7 mt -81.39 99.09 4.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.244 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.1 166.03 48.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.626 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.37 142.27 88.66 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 60.2 28.25 17.82 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.423 0.689 . . . . 0.0 111.458 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -118.79 126.82 52.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.021 0.439 . . . . 0.0 111.231 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.574 ' HA2' ' HA ' ' A' ' 31' ' ' PHE . . . -105.46 134.79 12.24 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 171.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.09 172.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.902 0.351 . . . . 0.0 111.369 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.59 112.34 24.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.311 0.576 . . . . 0.0 111.007 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -103.12 117.89 35.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.455 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.69 107.9 17.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.906 0.384 . . . . 0.0 110.604 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.434 HD22 HD12 ' A' ' 106' ' ' LEU . 47.4 tp -107.82 101.97 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 174.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.3 -102.75 1.21 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -172.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -129.37 0.58 5.08 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 171.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.93 122.46 32.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.251 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -80.99 118.62 22.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.952 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 21' ' ' ALA . 44.8 t -99.47 132.05 45.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.026 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -99.48 107.72 19.99 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -100.56 103.79 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.967 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.574 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 88.9 m-85 -96.6 124.51 40.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.243 -177.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -98.43 99.71 7.86 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 166.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 48.6 Cg_endo -93.41 -1.61 3.35 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 123.072 2.515 . . . . 0.0 113.62 -173.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -128.22 175.96 8.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.404 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -83.61 -9.42 58.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.372 0.606 . . . . 0.0 109.573 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 p -88.92 -169.52 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.629 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -91.78 20.26 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 111.327 -177.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.438 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 89.5 mm-40 -77.49 114.33 16.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.102 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 m -125.03 139.3 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.889 0.376 . . . . 0.0 110.539 -178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -124.26 124.01 41.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.07 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -108.71 124.37 50.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.406 -176.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.5 pt -130.14 -172.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.104 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.9 m -71.35 125.06 25.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.525 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 65.7 t30 -78.37 -24.57 46.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.035 0.445 . . . . 0.0 110.768 -176.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.3 mm -107.61 131.42 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.347 177.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.715 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 9.6 t70 -68.22 132.12 91.8 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.388 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 9.4 Cg_endo -91.58 -47.81 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.349 2.7 . . . . 0.0 114.13 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HB2' ' OD2' ' A' ' 87' ' ' ASP . 72.5 t80 -69.96 -47.04 63.88 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.325 0.583 . . . . 0.0 111.404 -173.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -98.37 -27.56 14.04 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.19 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.715 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 39.4 tt0 67.61 111.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.698 -176.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.521 ' N ' ' HB3' ' A' ' 46' ' ' ASP . 18.9 m -145.98 -177.03 5.38 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.47 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 m -86.92 -162.19 0.76 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.781 0.324 . . . . 0.0 110.829 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.37 140.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.928 -174.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.2 mt -86.29 -3.69 59.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.192 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t -62.07 -19.82 63.34 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.087 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -104.42 40.56 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.67 0.747 . . . . 0.0 109.905 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.43 164.57 24.58 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.488 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -97.33 146.18 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.009 0.433 . . . . 0.0 111.106 -171.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -101.08 122.32 53.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.295 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.95 -178.01 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.474 ' HG3' HD23 ' A' ' 66' ' ' LEU . 33.6 tt0 -118.78 139.95 50.75 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.668 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.482 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 27.6 t-80 -76.97 -60.26 2.43 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 43.7 tt0 170.41 81.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.446 -1.252 . . . . 0.0 107.656 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.32 -51.83 0.78 Allowed Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -171.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -96.43 145.7 25.43 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.76 0.314 . . . . 0.0 111.024 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.474 HD23 ' HG3' ' A' ' 61' ' ' GLU . 89.9 mt -94.36 138.86 31.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.994 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.437 ' HZ3' ' HB2' ' A' ' 85' ' ' MET . 14.1 m95 -127.75 146.2 50.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.212 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.486 ' HB ' HD21 ' A' ' 79' ' ' LEU . 9.3 p -96.85 134.72 33.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.039 0.447 . . . . 0.0 110.524 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -106.76 127.02 53.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.213 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 73' ' ' LYS . 15.2 t -87.49 127.13 59.74 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.856 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -85.34 -6.31 9.17 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.749 2.3 . . . . 0.0 111.224 171.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.9 mt -75.91 -46.57 29.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 70' ' ' SER . 0.1 OUTLIER -147.37 134.86 20.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 171.227 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -61.65 100.83 0.16 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.104 0.478 . . . . 0.0 110.442 -176.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -168.33 153.27 6.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -174.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -127.44 143.47 51.2 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.423 0.63 . . . . 0.0 112.462 -174.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.474 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 32.4 m-85 -121.24 138.98 53.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.876 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.774 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 73.1 ttt180 -76.61 120.38 21.72 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.486 HD21 ' HB ' ' A' ' 68' ' ' VAL . 90.1 mt -73.8 -47.77 36.39 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -176.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -45.26 84.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.09 0.471 . . . . 0.0 111.663 -175.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.774 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 5.7 t70 -106.84 -48.17 3.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.978 -172.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.571 ' O ' HG22 ' A' ' 92' ' ' VAL . . . 118.71 -3.43 15.05 Favored Glycine 0 C--N 1.323 -0.193 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.004 -178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.8 tp -58.41 101.91 0.1 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.496 -0.352 . . . . 0.0 111.656 175.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 26.1 t -74.43 126.02 29.81 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 167.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.437 ' HB2' ' HZ3' ' A' ' 67' ' ' TRP . 11.8 ttt -62.62 -26.93 68.87 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.741 -0.383 . . . . 0.0 111.976 -170.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -92.55 -11.13 35.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 111.642 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 9.0 t0 -106.91 10.71 30.48 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -34.17 -36.65 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -172.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -61.37 -47.03 87.72 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -114.89 -38.49 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.539 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 42.7 m 71.68 -176.4 0.19 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.117 0.567 . . . . 0.0 111.01 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 82' ' ' GLY . 15.3 m -99.23 174.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.783 0.325 . . . . 0.0 110.604 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -85.25 109.56 18.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -86.89 121.69 29.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.925 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -96.31 164.47 12.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.699 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -100.88 113.15 25.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.552 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -120.67 142.67 49.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.549 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -147.04 151.5 37.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.17 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.3 t -96.06 92.36 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.15 0.5 . . . . 0.0 110.158 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -94.68 113.61 25.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.014 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 62.66 18.25 10.42 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.265 0.353 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.86 5.07 63.01 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.153 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 9' ' ' LYS . 67.4 t -111.29 126.69 68.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.744 0.307 . . . . 0.0 110.518 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.652 HG21 HD12 ' A' ' 13' ' ' ILE . 20.8 t -77.65 112.42 15.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.465 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 75.0 mt-30 -102.57 138.85 38.93 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.048 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.434 HD12 HD22 ' A' ' 23' ' ' LEU . 2.6 tm? -118.49 126.41 51.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.392 -176.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.503 ' HD3' ' CE2' ' A' ' 4' ' ' TRP . 6.5 ttp180 -117.98 136.64 53.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.922 174.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.649 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.438 177.625 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.718 0.294 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -70.05 107.77 3.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.998 174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -97.61 123.96 41.7 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.044 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.4 136.71 53.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 mm -102.89 -67.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.23 0.538 . . . . 0.0 109.779 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 p -158.46 -175.66 5.45 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 62.4 mttm -83.04 149.46 26.93 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.663 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.52 HD12 HG21 ' A' ' 99' ' ' VAL . 18.1 tt -71.1 -18.12 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.283 0.563 . . . . 0.0 110.465 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.26 -29.32 70.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.18 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.97 -24.59 63.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.97 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 mt -103.58 106.0 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.157 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.27 158.25 88.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.013 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.71 142.44 98.61 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.255 1.97 . . . . 0.0 111.302 174.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 70.09 24.48 5.0 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.827 0.704 . . . . 0.0 110.96 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -120.68 143.96 48.45 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.002 0.429 . . . . 0.0 111.27 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.09 143.7 15.29 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.03 175.11 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.709 0.29 . . . . 0.0 111.122 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -109.76 143.35 39.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.378 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.01 160.56 39.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.636 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.2 122.56 46.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.953 0.406 . . . . 0.0 110.995 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 tt -122.78 102.88 8.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.4 -100.76 0.83 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.405 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -123.77 -7.73 7.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.163 0.506 . . . . 0.0 109.965 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -93.06 129.12 39.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.893 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -81.57 122.61 27.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.768 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -111.25 138.47 39.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.227 -174.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.31 116.22 32.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.188 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.438 HD11 HD11 ' A' ' 106' ' ' LEU . 61.0 mt -98.86 115.14 38.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.172 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -111.97 124.77 53.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.359 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -111.74 100.01 46.91 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.494 ' HB2' HD13 ' A' ' 66' ' ' LEU . 55.8 Cg_endo -89.47 -35.72 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.539 2.159 . . . . 0.0 112.93 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -89.89 168.17 12.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.166 0.507 . . . . 0.0 111.313 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -86.09 -17.23 35.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.787 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 m -72.34 -171.79 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.588 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -89.07 5.26 45.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.025 0.441 . . . . 0.0 110.766 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -78.46 109.38 12.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.051 0.453 . . . . 0.0 110.768 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -115.35 160.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.205 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -128.44 133.82 48.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.777 0.322 . . . . 0.0 110.407 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.81 119.96 33.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.178 0.513 . . . . 0.0 111.167 -176.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.5 pt -124.77 175.3 7.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.679 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.0 t -62.77 133.98 55.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.647 HD21 HG12 ' A' ' 53' ' ' VAL . 67.0 t30 -89.33 -4.15 58.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.164 0.507 . . . . 0.0 110.563 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.34 124.98 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -175.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.763 ' HB2' HD21 ' A' ' 54' ' ' LEU . 6.1 t70 -89.29 126.01 59.99 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.872 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 2.9 Cg_endo -86.9 -8.41 6.83 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.089 2.526 . . . . 0.0 113.367 -177.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -85.39 -51.68 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.653 0.264 . . . . 0.0 111.032 -174.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.594 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 97.3 m-85 -105.47 -1.23 25.17 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 42.6 mt-10 62.1 60.19 1.53 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.306 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.584 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 47.6 t -102.23 143.15 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.769 -177.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 p -81.52 -23.38 37.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.996 -175.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.647 HG12 HD21 ' A' ' 44' ' ' ASN . 16.6 m -128.52 124.05 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.391 0.615 . . . . 0.0 112.456 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 46' ' ' ASP . 63.5 mt -92.48 -12.82 31.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.999 168.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 p -71.04 -1.59 12.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.859 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -93.75 40.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.74 164.69 24.67 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.853 -176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.68 144.91 28.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.689 0.28 . . . . 0.0 111.014 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.7 mt -90.14 127.72 42.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.156 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.38 139.16 28.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -89.37 135.26 33.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.625 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -88.53 -71.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -150.28 97.51 2.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.826 175.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.73 -46.93 3.56 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.722 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -88.87 138.67 31.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.494 HD13 ' HB2' ' A' ' 33' ' ' PRO . 90.3 mt -88.67 130.69 35.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.419 178.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.449 ' CE3' ' HG2' ' A' ' 76' ' ' ARG . 35.1 m95 -118.81 159.7 23.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.106 -177.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 p -115.48 134.4 58.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -109.99 116.66 31.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.043 0.449 . . . . 0.0 111.257 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 75' ' ' GLN . 40.5 t -85.11 124.24 72.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.077 177.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 5.0 Cg_exo -75.48 5.66 4.08 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.304 2.67 . . . . 0.0 113.0 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.72 -56.01 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.299 . . . . 0.0 110.55 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.594 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 32.7 tptt -146.65 27.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.914 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt 64.62 61.8 0.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.83 0.824 . . . . 0.0 110.199 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.531 ' HB2' ' HB3' ' A' ' 70' ' ' SER . 29.8 mt-30 -99.87 130.48 46.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.179 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.449 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 13.4 ttm180 -119.07 123.13 43.7 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.477 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -115.01 149.21 37.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.083 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.479 ' NH2' HD22 ' A' ' 83' ' ' LEU . 53.3 ttp180 -94.12 122.05 36.25 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.41 -8.77 57.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.059 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.3 m -58.46 -30.73 67.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 111.167 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -147.63 -70.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.103 0.478 . . . . 0.0 110.067 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.11 42.17 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.551 HD11 ' HG3' ' A' ' 88' ' ' GLU . 6.4 tp -101.99 149.52 24.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.291 -0.454 . . . . 0.0 110.42 -174.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 42.1 t -96.86 149.71 21.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -63.01 1.45 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.693 0.282 . . . . 0.0 111.019 -175.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -88.07 -32.48 18.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.218 0.532 . . . . 0.0 110.694 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 3.3 t0 -81.08 10.71 4.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.288 -175.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.551 ' HG3' HD11 ' A' ' 83' ' ' LEU . 42.0 tt0 -34.2 -38.69 0.07 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.218 1.007 . . . . 0.0 113.405 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.83 -41.49 87.02 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.422 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -137.96 83.91 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.5 . . . . 0.0 109.898 -177.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -97.91 -164.55 1.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.536 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -93.11 178.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.259 0.552 . . . . 0.0 112.099 -173.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -88.09 134.6 33.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.944 -174.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -105.8 127.86 53.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.261 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -106.65 146.72 30.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -80.72 137.47 36.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.58 148.61 50.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.709 0.29 . . . . 0.0 111.166 -177.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -146.68 158.97 44.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.942 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.52 HG21 HD12 ' A' ' 10' ' ' ILE . 95.2 t -114.14 110.39 31.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.195 0.521 . . . . 0.0 109.857 175.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -116.35 116.34 27.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.129 -176.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 61.73 25.64 15.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.283 0.564 . . . . 0.0 109.976 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.66 8.06 80.73 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.611 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 24.4 t -109.76 132.2 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.979 0.39 . . . . 0.0 110.552 -177.125 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.89 115.24 20.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -112.71 137.64 50.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.438 HD11 HD11 ' A' ' 30' ' ' ILE . 83.1 mt -112.77 138.84 48.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.022 0.439 . . . . 0.0 111.27 -177.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 107' ' ' ARG . 33.4 ttt-85 -123.28 141.98 51.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.483 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.73 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.168 176.341 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.609 HE22 HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 121.199 0.523 . . . . 0.0 110.587 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -67.17 116.52 8.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.092 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 36.0 mmtm -97.5 123.56 41.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.045 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.27 100.45 5.1 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.6 mm -85.75 -82.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.467 0.651 . . . . 0.0 110.906 -174.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 81.8 m -146.64 -165.27 2.19 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 6.3 mtpm? -100.14 159.19 15.3 Favored 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.925 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.9 tt -72.27 -10.3 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.73 0.776 . . . . 0.0 109.578 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.79 -19.87 61.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.965 175.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -81.94 -18.08 44.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.929 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 mt -113.61 125.95 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.984 0.421 . . . . 0.0 110.681 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 88.5 mt -89.04 165.9 24.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.664 -177.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 19.9 Cg_endo -61.43 132.88 43.01 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.218 1.945 . . . . 0.0 111.638 174.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' OE1' ' HB2' ' A' ' 15' ' ' PRO . 2.7 mp0 60.71 42.45 13.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.809 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -135.08 157.51 46.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.678 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.46 143.82 15.6 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.174 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -123.59 169.8 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.506 0.193 . . . . 0.0 110.59 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.1 m -109.03 129.23 55.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.656 0.265 . . . . 0.0 110.49 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.46 155.22 47.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.731 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.16 112.11 23.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.984 0.421 . . . . 0.0 110.886 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.609 HD21 HE22 ' A' ' 3' ' ' GLN . 10.1 tt -106.98 96.99 6.83 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.09 -100.41 0.64 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.348 -0.929 . . . . 0.0 110.816 -173.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -122.99 6.97 9.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 171.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -84.8 115.03 22.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.199 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -80.07 102.42 9.3 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 106' ' ' LEU . 42.1 t -106.33 137.35 37.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.079 -172.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . . . -104.33 112.68 25.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.681 175.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.447 HD11 HD11 ' A' ' 106' ' ' LEU . 43.0 mt -90.76 107.69 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.73 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.23 129.62 48.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -104.25 99.86 19.12 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 167.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 75.5 Cg_endo -89.74 -29.81 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.84 2.36 . . . . 0.0 112.946 -176.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -99.77 155.97 17.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -72.82 -16.31 61.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.309 0.576 . . . . 0.0 110.145 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -90.11 -153.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.169 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -85.97 0.74 52.48 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.618 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.454 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 9.2 tt0 -78.48 102.97 8.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.484 -175.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -119.08 156.67 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.52 135.55 40.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.077 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.86 131.93 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.819 0.342 . . . . 0.0 110.83 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.7 pt -138.31 178.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.678 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -67.9 132.2 46.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.63 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 28.5 p-10 -81.23 -17.4 49.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.948 -176.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 51' ' ' SER . 71.4 mt -111.61 117.29 54.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.001 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.75 ' HB3' ' HZ ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -70.57 133.76 86.73 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.467 175.683 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 16.6 Cg_exo -67.93 -49.85 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.437 2.758 . . . . 0.0 114.453 -169.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -91.59 -39.72 11.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.146 0.498 . . . . 0.0 110.353 -173.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.679 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 7.5 t80 -74.46 -29.42 61.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.313 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 59.59 59.88 2.43 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 173.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 3.9 m -102.9 161.91 13.36 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 168.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -93.29 -48.81 6.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.55 124.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 61.5 mt -92.31 -19.51 22.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.85 170.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 m -64.22 -27.16 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.093 -174.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.33 40.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.832 0.349 . . . . 0.0 110.749 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.67 164.58 24.65 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.6 pt? -91.33 151.9 20.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.978 0.418 . . . . 0.0 110.887 -175.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -106.51 120.66 58.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.46 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -123.65 152.48 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.839 0.352 . . . . 0.0 111.211 -176.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -85.1 126.06 33.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.891 177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -85.39 -76.19 0.33 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.273 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -132.15 11.84 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.436 0.636 . . . . 0.0 109.386 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.21 -30.43 1.75 Allowed Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.873 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.05 149.01 21.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 97.8 mt -93.53 122.87 36.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.158 0.504 . . . . 0.0 111.121 -177.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -111.97 132.77 54.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.978 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.51 137.29 24.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -129.37 117.99 21.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.491 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 17.1 m -82.49 138.4 44.59 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.946 177.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.3 Cg_exo -72.82 21.86 0.31 Allowed 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.609 2.873 . . . . 0.0 113.456 -175.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.44 -84.17 0.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.711 0.291 . . . . 0.0 110.226 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -112.31 26.76 10.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.749 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt 63.73 30.33 14.71 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.741 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 4.2 pt20 -63.49 142.21 58.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.092 -178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -123.5 121.44 35.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.558 -172.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.75 ' HZ ' ' HB3' ' A' ' 46' ' ' ASP . 42.4 m-85 -123.34 131.9 53.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 111.181 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -88.46 104.69 17.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.075 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.18 -22.88 66.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.301 -174.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -58.43 -49.03 78.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.558 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -126.82 -8.52 6.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.482 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.78 12.22 53.55 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.992 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -75.21 136.01 41.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.665 -0.315 . . . . 0.0 110.733 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 87' ' ' ASP . 51.9 t -97.09 153.76 17.75 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -44.03 16.24 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -77.41 -46.38 22.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.554 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 5.1 m-20 -87.19 9.97 18.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.357 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -34.04 -47.34 0.27 Allowed 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -166.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -61.78 -31.46 71.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.231 0.469 . . . . 0.0 111.853 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -104.15 -58.08 1.94 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.18 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.9 m 62.87 -172.78 0.16 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.576 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.95 167.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.104 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 33.1 mmtm -83.37 130.9 35.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.188 0.518 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -84.94 112.48 20.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.518 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.536 ' CD1' ' HA3' ' A' ' 108' ' ' GLY . 31.1 m-85 -98.95 138.62 35.8 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -79.78 115.72 19.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.278 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.05 131.44 55.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.129 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -131.82 159.59 38.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.546 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.7 t -106.76 97.15 5.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.796 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -95.63 106.04 18.1 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.286 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.8 t70 66.46 3.38 2.82 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.41 0.624 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.03 4.39 25.89 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.907 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 67.2 t -104.84 137.72 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.5 t -82.37 116.21 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 63.9 mt-30 -114.7 132.76 56.3 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.504 175.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.483 HD13 HG11 ' A' ' 28' ' ' VAL . 93.9 mt -108.87 136.94 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.322 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -122.58 113.89 19.89 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 172.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.536 ' HA3' ' CD1' ' A' ' 95' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.916 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.071 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 121.003 0.43 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 98.7 m95 -69.52 101.97 1.72 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.443 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -83.27 110.56 18.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.702 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.83 ' HB3' HE21 ' A' ' 105' ' ' GLN . 7.9 p-10 -75.7 123.85 26.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.214 0.53 . . . . 0.0 110.044 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 mm -93.59 -78.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.349 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.4 m -142.53 -168.44 2.74 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 63.5 mttp -88.93 157.84 18.27 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.562 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 tp -70.26 -11.74 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.6 0.714 . . . . 0.0 109.804 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -74.93 -28.6 60.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.9 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.34 -34.81 78.81 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.219 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.486 HD12 HG21 ' A' ' 104' ' ' VAL . 22.6 mt -104.03 92.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.133 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.843 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -70.98 167.13 31.41 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.35 178.83 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 73.9 Cg_exo -52.06 141.5 47.36 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.571 2.181 . . . . 0.0 112.873 178.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE2' ' HE1' ' A' ' 35' ' ' HIS . 1.4 mp0 54.51 46.71 24.32 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.538 -178.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.65 ' OG1' ' HG ' ' A' ' 14' ' ' LEU . 33.7 m -132.14 136.63 47.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.045 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -121.45 126.83 6.67 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.69 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 m -116.76 152.05 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.975 0.416 . . . . 0.0 110.942 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 p -94.74 120.32 34.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.82 167.78 17.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.97 138.2 52.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.22 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 tt -125.42 95.04 4.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.4 -89.01 0.61 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.622 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -128.03 -8.87 5.41 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 149.9 21.72 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.123 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -99.45 107.11 19.24 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.511 HG11 HD13 ' A' ' 106' ' ' LEU . 38.6 t -108.82 128.68 64.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.058 0.456 . . . . 0.0 111.107 -172.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -96.32 121.14 37.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.626 176.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.447 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 28.5 mt -100.82 120.15 49.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 81.2 m-85 -121.12 120.55 35.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.832 -174.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -97.71 99.9 7.45 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 66.1 Cg_endo -90.87 1.92 4.82 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.201 2.601 . . . . 0.0 113.487 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -133.58 177.08 7.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.957 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.5 ' HE1' ' OE2' ' A' ' 16' ' ' GLU . 3.3 m-70 -89.82 -8.04 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.6 p -88.66 -159.62 0.58 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.36 -176.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -90.81 8.29 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.136 -176.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -84.04 118.89 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.971 -177.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.71 145.41 35.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.417 ' CD2' ' HG3' ' A' ' 33' ' ' PRO . 34.3 m-85 -121.01 153.19 37.67 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 95' ' ' TYR . . . -131.12 135.66 47.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.606 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.6 pt -140.17 178.08 3.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.122 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.9 m -59.98 128.0 34.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.471 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 55.7 t30 -83.1 -31.23 27.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.305 -0.407 . . . . 0.0 112.032 -173.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.574 HG23 ' O ' ' A' ' 51' ' ' SER . 36.8 mm -93.55 139.3 18.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.474 ' HB2' ' H ' ' A' ' 51' ' ' SER . 9.9 m-20 -57.14 105.83 0.59 Allowed Pre-proline 0 N--CA 1.468 0.459 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 172.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 35.1 Cg_exo -57.34 -65.28 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 123.254 2.636 . . . . 0.0 113.552 -166.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -88.94 -10.74 46.64 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.856 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 5.8 t80 -94.17 -18.64 21.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.097 -176.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 67.68 35.32 4.08 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.817 0.447 . . . . 0.0 111.929 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 45' ' ' ILE . 67.6 m -102.4 -165.78 1.22 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.955 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -92.44 -151.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.165 0.507 . . . . 0.0 111.834 -171.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 m -76.16 135.29 27.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.518 -172.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 58.2 mt -74.92 -10.35 59.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.396 176.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -66.75 -14.37 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.765 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 51.8 ttm-85 -97.39 40.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.578 0.704 . . . . 0.0 109.31 175.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.84 164.66 24.7 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.843 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.758 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.5 pt? -99.85 151.7 20.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.823 0.344 . . . . 0.0 111.033 -175.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.6 mt -104.43 121.05 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.754 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -125.51 139.21 53.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.163 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -86.9 129.19 34.98 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.008 0.432 . . . . 0.0 110.693 -177.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -77.64 -56.34 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 5.9 tp60 176.31 86.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.78 -32.02 3.52 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.527 -172.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.85 139.1 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.347 0.259 . . . . 0.0 110.351 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.46 HD13 ' HB2' ' A' ' 33' ' ' PRO . 65.4 mt -105.71 114.77 29.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.899 0.38 . . . . 0.0 110.463 178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.411 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 44.5 m95 -110.39 144.07 39.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.421 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.33 143.18 22.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.26 128.49 41.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.799 0.333 . . . . 0.0 111.518 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 p -82.83 119.64 74.81 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.794 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.65 2.35 2.52 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.93 2.42 . . . . 0.0 113.01 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 51' ' ' SER . 6.6 mp -77.29 -30.27 54.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.205 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 62.3 tttp -136.75 -16.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.646 175.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 67.82 42.37 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.013 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -87.25 142.68 27.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.367 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -99.49 121.54 41.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.979 0.418 . . . . 0.0 111.749 -174.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.42 ' HD2' ' HG ' ' A' ' 84' ' ' CYS . 18.2 m-85 -115.05 123.42 48.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.466 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.404 HH21 ' CG ' ' A' ' 81' ' ' ASP . 46.1 ttp180 -87.49 100.62 12.9 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.08 -11.11 46.47 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.25 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -64.56 -48.68 74.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 19.0 p-10 -118.66 -28.73 5.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.338 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 91' ' ' SER . . . 108.71 13.6 18.05 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.426 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.0 tp -83.77 137.6 33.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.991 0.424 . . . . 0.0 111.287 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 38.6 m -102.36 133.66 46.92 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 172.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 23.1 ttt -71.94 -30.3 65.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.947 0.403 . . . . 0.0 111.234 -175.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -92.58 -32.3 14.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.345 0.593 . . . . 0.0 110.749 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 84' ' ' CYS . 20.1 t70 -106.74 10.44 30.87 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.567 -169.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -36.9 -32.77 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -171.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.24 -35.42 73.65 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.221 0.464 . . . . 0.0 111.162 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -111.46 -61.26 1.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.681 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.661 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 47.2 m 63.24 -169.12 0.19 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.731 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.0 m -106.75 163.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -92.46 139.69 30.33 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.406 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 36.8 t-80 -87.42 134.07 33.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.994 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.475 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 63.3 m-85 -118.51 145.0 45.65 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 175.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.52 142.88 27.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.887 0.375 . . . . 0.0 110.816 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.03 151.18 51.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -144.17 156.73 44.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.7 t -105.45 102.06 13.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -93.54 106.92 18.84 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 p30 47.79 24.98 0.64 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.02 0.928 . . . . 0.0 112.595 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.26 -9.02 26.81 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.994 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 11.7 t -101.18 132.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.941 0.37 . . . . 0.0 110.774 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.486 HG21 HD12 ' A' ' 13' ' ' ILE . 22.2 t -80.0 121.37 33.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.42 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.83 HE21 ' HB3' ' A' ' 6' ' ' ASP . 74.2 mt-30 -120.18 136.53 54.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.732 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.511 HD13 HG11 ' A' ' 28' ' ' VAL . 81.5 mt -112.67 137.68 50.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.305 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -115.39 106.16 13.67 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.814 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.176 -179.053 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.592 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 96.1 m95 -75.48 83.68 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 171.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -78.97 134.56 36.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.545 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -73.25 140.25 46.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.407 HG22 ' SG ' ' A' ' 8' ' ' CYS . 35.0 mm -113.38 -71.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.19 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' SG ' HG22 ' A' ' 7' ' ' ILE . 62.5 m -144.4 173.64 11.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.724 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -90.04 136.95 32.73 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.458 HD12 HG21 ' A' ' 99' ' ' VAL . 15.6 tt -65.92 -16.14 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.031 0.444 . . . . 0.0 111.324 -174.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -25.26 64.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.471 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -82.29 -33.53 29.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.115 0.483 . . . . 0.0 110.949 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.1 mt -85.55 105.77 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.71 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.41 165.78 47.95 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.717 ' HG3' ' HB3' ' A' ' 35' ' ' HIS . 44.9 Cg_exo -56.01 136.27 74.03 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.497 2.132 . . . . 0.0 112.279 176.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 63.5 43.58 5.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.526 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.6 m -129.94 140.59 50.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.297 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.09 143.71 15.8 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.991 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 m -124.37 160.11 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.781 0.324 . . . . 0.0 110.66 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -105.96 130.91 53.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.235 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.32 163.8 30.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 0.0 110.893 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 tt -117.97 121.96 42.01 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.84 93.08 4.32 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.63 -82.67 0.48 Allowed Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.908 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.3 -20.8 6.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.106 0.479 . . . . 0.0 111.254 -175.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 26' ' ' GLU . 2.4 pt-20 -116.93 151.23 37.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.142 -170.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.434 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . 16.0 mm-40 -84.94 127.27 34.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.874 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.507 HG11 HD13 ' A' ' 106' ' ' LEU . 22.5 t -123.82 130.28 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.934 0.397 . . . . 0.0 110.702 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 41' ' ' ALA . . . -102.27 124.63 48.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.076 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.51 HD11 HD11 ' A' ' 106' ' ' LEU . 51.0 mt -106.31 119.18 55.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 84.9 m-85 -113.47 128.13 56.34 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.336 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -105.56 100.06 24.58 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 171.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 55.7 Cg_endo -91.07 -24.88 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.954 2.436 . . . . 0.0 112.533 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -107.48 127.8 53.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.911 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.717 ' HB3' ' HG3' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -77.55 25.44 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 177.725 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.7 m -104.55 -96.6 0.32 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.076 173.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -148.22 18.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.186 0.517 . . . . 0.0 110.824 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -105.25 116.44 31.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.529 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.94 151.65 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.791 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.59 148.17 44.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.451 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -134.81 129.24 34.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.809 0.338 . . . . 0.0 110.67 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.4 pt -136.24 -177.47 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.894 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.523 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 13.9 m -62.48 127.59 32.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 10.5 t30 -76.16 -28.68 57.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 51' ' ' SER . 38.8 mm -96.13 134.12 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.58 -176.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.627 ' OD1' ' HB2' ' A' ' 51' ' ' SER . 2.7 m-20 -58.54 122.27 59.31 Favored Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 171.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.86 -73.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.77 2.313 . . . . 0.0 113.366 -175.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.72 -25.64 18.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.625 0.25 . . . . 0.0 111.558 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 64.1 t80 -75.53 -28.38 59.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.396 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 61.62 95.19 0.04 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.435 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.627 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 75.0 m -148.97 173.8 12.96 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.447 ' O ' HD13 ' A' ' 45' ' ' ILE . 5.8 p -90.28 -51.47 5.42 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -170.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -128.96 124.46 60.99 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -171.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -92.31 -7.72 47.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.224 171.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.53 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 3.3 p -82.53 1.31 38.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.509 -174.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 mtp-105 -109.39 40.94 1.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.392 . . . . 0.0 110.828 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.69 164.66 24.66 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.727 HD23 ' H ' ' A' ' 58' ' ' LEU . 1.6 pt? -90.88 140.75 29.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.98 0.419 . . . . 0.0 111.364 -174.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 52.7 mt -96.5 125.74 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.753 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.25 152.7 51.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.966 0.412 . . . . 0.0 111.299 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 64' ' ' GLY . 0.2 OUTLIER -99.4 144.74 28.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 176.564 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -145.02 -19.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -169.99 28.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.923 0.392 . . . . 0.0 112.025 -173.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.453 ' H ' ' CD ' ' A' ' 61' ' ' GLU . . . 89.39 13.51 61.5 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -176.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -134.17 142.56 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.828 0.347 . . . . 0.0 110.366 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.24 102.73 15.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.616 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -99.76 122.52 42.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.359 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.479 ' HB ' HD23 ' A' ' 79' ' ' LEU . 7.6 p -100.12 130.43 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -117.16 112.46 20.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.973 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.614 ' HB3' HD13 ' A' ' 72' ' ' LEU . 18.5 m -78.8 125.53 83.98 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.775 175.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.3 Cg_exo -73.43 10.16 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.245 2.63 . . . . 0.0 113.367 -174.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 70' ' ' SER . 7.6 mp -65.47 -63.84 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 110.382 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -136.31 22.59 3.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.683 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.0 tttt 62.61 77.61 0.32 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.586 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.81 ' HG3' ' HE1' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -115.0 131.55 56.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.112 179.301 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -103.45 115.68 30.99 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.988 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.81 ' HE1' ' HG3' ' A' ' 75' ' ' GLN . 97.3 m-85 -118.21 133.16 56.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.259 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -91.51 92.1 8.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.479 HD23 ' HB ' ' A' ' 68' ' ' VAL . 3.3 pp -72.3 -12.57 61.2 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -172.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 p -74.87 -1.35 21.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.105 0.479 . . . . 0.0 110.859 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -149.79 -45.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.051 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.24 -17.79 8.45 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.923 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.1 tp -57.62 128.38 36.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.217 0.532 . . . . 0.0 111.274 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.1 m -103.95 124.61 49.3 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.6 ttt -67.06 -20.72 65.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.733 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -83.15 -46.88 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.23 0.538 . . . . 0.0 110.923 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -103.28 10.36 37.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.951 -170.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -34.02 -37.3 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.338 1.606 . . . . 0.0 115.338 -170.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.81 -25.08 62.82 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.982 0.42 . . . . 0.0 111.544 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -124.44 -57.36 1.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.928 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.2 m 65.49 177.05 0.21 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.013 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.523 ' HB ' ' HB2' ' A' ' 43' ' ' SER . 34.5 m -91.36 167.31 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.072 176.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -92.59 127.16 37.99 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.982 0.42 . . . . 0.0 110.619 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -90.5 150.49 21.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.722 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -113.49 169.06 9.24 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -101.45 135.48 42.88 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -136.31 145.51 45.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.979 0.418 . . . . 0.0 111.846 -174.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.592 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 11.0 ptm180 -151.15 145.44 25.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.951 174.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.458 HG21 HD12 ' A' ' 10' ' ' ILE . 52.1 t -86.32 103.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.365 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.632 ' HB2' ' HG3' ' A' ' 105' ' ' GLN . 1.7 ttpm? -91.41 108.12 19.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.478 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 p30 52.7 18.78 1.08 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.829 0.851 . . . . 0.0 112.75 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.84 -8.94 27.66 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.661 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.3 t -101.85 134.94 40.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.6 118.54 20.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.479 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.632 ' HG3' ' HB2' ' A' ' 100' ' ' LYS . 6.2 mm100 -110.24 133.62 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 30' ' ' ILE . 72.7 mt -117.44 134.81 54.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.693 0.282 . . . . 0.0 110.868 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -111.11 120.95 44.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.985 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.504 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.09 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.782 ' N ' HE21 ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.509 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 95.5 m95 -84.82 85.76 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 169.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -71.56 108.99 5.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.207 -178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.07 121.02 14.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.641 174.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.8 mm -96.76 -70.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.088 -175.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -154.22 -161.92 1.32 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HE2' ' OD1' ' A' ' 11' ' ' ASP . 47.9 mtpt -104.28 164.15 11.93 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.667 -176.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -73.28 -10.05 13.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.844 0.831 . . . . 0.0 108.969 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.494 ' OD1' ' HE2' ' A' ' 9' ' ' LYS . 2.5 m-20 -74.18 -36.26 64.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.528 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.51 -4.26 55.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.112 0.482 . . . . 0.0 110.637 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.595 HD12 HG21 ' A' ' 104' ' ' VAL . 35.6 mt -105.49 91.71 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.307 0.575 . . . . 0.0 109.55 173.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.98 146.04 97.49 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.35 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 46.4 Cg_exo -57.1 129.82 36.38 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.524 2.149 . . . . 0.0 112.036 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 15' ' ' PRO . 92.3 mt-10 75.54 32.81 0.69 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.041 0.838 . . . . 0.0 110.74 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -133.37 154.82 50.42 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.494 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.83 144.38 18.16 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.44 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.409 HG11 HG12 ' A' ' 13' ' ' ILE . 35.9 m -120.01 150.01 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.117 0.484 . . . . 0.0 111.248 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -88.16 115.0 25.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.002 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.81 166.75 15.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.826 0.346 . . . . 0.0 110.573 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 27' ' ' GLN . 96.8 mt -131.06 122.3 26.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.485 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.31 91.98 8.97 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 171.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.58 -90.57 0.75 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 -169.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.21 -10.04 5.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.67 0.271 . . . . 0.0 110.4 172.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -76.71 126.2 30.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 110.543 -176.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.72 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . 23.3 mp0 -69.13 116.48 9.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.249 -176.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.479 HG11 HD13 ' A' ' 106' ' ' LEU . 59.6 t -118.97 130.86 73.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.089 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -99.37 111.68 24.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.214 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.521 HD11 HD11 ' A' ' 106' ' ' LEU . 60.3 mt -95.31 109.7 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.001 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 98.6 m-85 -104.25 125.6 50.65 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -108.45 99.77 34.57 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 168.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HB2' HD13 ' A' ' 66' ' ' LEU . 72.8 Cg_endo -92.89 -24.0 0.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.538 2.159 . . . . 0.0 112.689 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -99.35 159.87 14.69 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.051 0.453 . . . . 0.0 110.544 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -90.28 3.43 53.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.953 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -95.09 -173.84 3.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.949 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -86.15 69.81 10.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.624 0.25 . . . . 0.0 110.68 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -148.0 135.95 21.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.713 0.292 . . . . 0.0 110.585 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.0 m -138.13 153.68 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.344 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -120.58 129.88 53.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.873 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.55 119.62 35.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.16 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' LYS . 39.4 pt -130.78 -178.77 2.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.264 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 m -62.4 130.06 43.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.72 ' HB3' ' HB3' ' A' ' 27' ' ' GLN . 63.4 t30 -83.85 -18.7 36.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 111.142 -175.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.3 mm -116.24 140.89 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' HB3' ' H ' ' A' ' 51' ' ' SER . 8.8 t70 -68.8 122.51 85.2 Favored Pre-proline 0 N--CA 1.469 0.494 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 174.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.27 -55.94 0.84 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.99 2.46 . . . . 0.0 114.367 -172.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -91.3 -37.63 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.798 0.332 . . . . 0.0 111.823 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -79.34 -22.98 43.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.775 0.321 . . . . 0.0 110.333 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 50' ' ' GLU . 5.6 mm-40 62.53 72.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.783 0.801 . . . . 0.0 110.798 -178.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.425 ' H ' ' HB3' ' A' ' 46' ' ' ASP . 10.6 t -102.49 -165.85 1.22 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 174.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -106.3 -154.76 0.53 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 44' ' ' ASN . 34.3 m -68.33 124.56 24.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.896 0.855 . . . . 0.0 111.049 -174.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.1 mt -84.38 -16.1 44.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.208 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.574 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 5.2 p -68.27 -13.64 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.045 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -98.5 40.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.671 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.63 164.81 24.63 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.107 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.812 HD23 ' H ' ' A' ' 58' ' ' LEU . 1.9 pt? -86.76 137.09 32.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.962 0.41 . . . . 0.0 111.042 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.2 mt -97.83 119.44 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.887 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.33 141.16 43.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.912 0.387 . . . . 0.0 110.694 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HG2' ' H ' ' A' ' 63' ' ' GLN . 42.0 tt0 -87.63 118.25 26.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.896 177.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -94.62 36.24 1.18 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.543 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 22.6 tp60 64.54 83.29 0.17 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.659 -177.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.36 -65.73 0.26 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.759 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -90.94 145.73 24.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.897 0.38 . . . . 0.0 110.495 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 33' ' ' PRO . 78.5 mt -106.66 125.2 50.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.658 -177.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -116.68 131.65 56.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.941 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.61 133.36 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -115.44 130.85 57.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.682 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB3' ' O ' ' A' ' 73' ' ' LYS . 33.3 t -82.32 137.07 45.68 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.119 179.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HD2' HD12 ' A' ' 72' ' ' LEU . 5.3 Cg_exo -76.46 -19.22 15.1 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.922 2.415 . . . . 0.0 112.07 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.433 HD12 ' HD2' ' A' ' 71' ' ' PRO . 5.3 mp -78.62 -64.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 70' ' ' SER . 57.0 tptt -114.08 144.56 42.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 174.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -76.03 61.25 1.51 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.905 0.859 . . . . 0.0 110.995 -174.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.514 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -92.29 145.79 24.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.065 178.404 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.55 121.85 23.9 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 75' ' ' GLN . 33.5 m-85 -119.0 134.78 54.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 -177.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -84.66 113.88 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.5 -25.38 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.05 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m -57.71 -48.69 78.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.095 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -125.53 -19.57 4.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.74 15.24 37.61 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.221 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.6 tp -72.98 134.63 44.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.782 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 59.1 m -88.68 138.94 30.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.8 ttt -58.24 -70.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -92.85 -19.25 21.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.471 0.653 . . . . 0.0 110.838 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.49 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 2.7 m-20 -94.12 10.62 33.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.373 -175.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -34.04 -39.93 0.08 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -59.34 -28.5 66.89 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 111.638 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -119.16 41.63 3.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.448 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.782 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 68.1 m -60.91 163.8 5.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.116 0.484 . . . . 0.0 111.711 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.6 m -90.9 172.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.398 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 88.2 tttt -93.2 135.23 34.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 -176.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -95.34 119.38 33.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.055 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -95.37 146.53 24.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 17.6 mm-40 -80.71 107.26 13.37 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -177.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.04 142.82 46.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.578 -173.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.509 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 9.9 ptm180 -150.63 162.03 41.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.03 175.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.14 115.69 38.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -114.94 113.33 24.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.383 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 64.76 12.59 7.78 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.412 0.445 . . . . 0.0 110.887 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.72 5.49 57.62 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.047 -174.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 46.8 t -112.22 135.21 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.595 HG21 HD12 ' A' ' 13' ' ' ILE . 24.9 t -78.02 120.64 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.787 0.327 . . . . 0.0 111.201 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -108.7 133.4 52.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.182 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 30' ' ' ILE . 68.3 mt -117.02 113.92 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.955 0.159 . . . . 0.0 110.83 176.336 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 36.7 ttp85 -96.69 109.47 22.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.963 0.411 . . . . 0.0 109.978 174.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.663 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.072 178.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.442 0.639 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.482 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 67.3 m95 -63.85 109.95 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.674 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 78.6 tttt -82.2 128.15 33.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.81 120.87 23.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.331 0.586 . . . . 0.0 109.481 175.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -86.13 -67.33 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.077 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 t -157.95 171.31 20.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.545 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -76.79 143.58 39.74 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.529 HD12 HG21 ' A' ' 99' ' ' VAL . 14.2 tt -69.7 -7.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.36 0.6 . . . . 0.0 110.511 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.72 -19.81 61.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.607 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.12 -18.2 32.95 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.319 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mt -109.56 106.46 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.356 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 92.7 mt -73.39 167.86 30.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.565 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 48.2 Cg_endo -68.85 147.92 69.75 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 121.887 1.725 . . . . 0.0 111.717 175.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 63.45 30.62 15.3 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.952 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.5 p -132.4 163.96 27.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -136.62 143.46 14.84 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.017 178.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.23 177.69 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.006 0.431 . . . . 0.0 111.166 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.89 134.86 55.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.189 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.11 174.03 11.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.059 0.456 . . . . 0.0 111.164 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.51 125.99 42.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.488 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD12 ' HB2' ' A' ' 106' ' ' LEU . 8.8 tt -120.24 103.4 9.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.2 -105.53 1.52 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.777 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.59 -12.23 13.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -93.74 132.89 37.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.587 -174.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.454 ' HB3' HD21 ' A' ' 44' ' ' ASN . 51.1 mt-30 -81.18 140.45 34.96 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 106' ' ' LEU . 42.6 t -133.04 148.49 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 111.182 -174.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.689 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . . . -112.18 123.05 49.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.402 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.49 HD11 HD11 ' A' ' 106' ' ' LEU . 62.4 mt -106.59 119.88 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.114 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.455 ' CD1' ' HA3' ' A' ' 18' ' ' GLY . 97.6 m-85 -115.64 133.86 55.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.72 0.295 . . . . 0.0 110.808 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -108.76 99.79 36.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HB2' HD13 ' A' ' 66' ' ' LEU . 67.5 Cg_endo -98.24 7.15 1.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.348 2.699 . . . . 0.0 113.109 -177.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -123.98 164.14 19.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.965 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -84.67 -17.94 36.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 p -77.43 -165.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.469 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.54 30.98 3.01 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.086 0.47 . . . . 0.0 110.238 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -96.45 118.31 32.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.56 157.45 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.21 177.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -133.4 149.99 51.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -127.93 131.14 49.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.104 0.478 . . . . 0.0 111.584 -176.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.9 pt -130.76 179.16 4.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.851 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.9 m -69.35 118.12 11.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.689 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 31.8 p-10 -76.72 -30.69 56.76 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.7 mm -101.29 108.39 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.579 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -74.61 142.9 78.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.453 -175.077 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 87.2 Cg_endo -96.24 1.12 2.07 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.786 2.324 . . . . 0.0 114.088 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -91.49 -59.44 2.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.276 0.56 . . . . 0.0 110.131 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -94.3 -28.61 15.48 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 43.4 mt-10 68.34 69.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.036 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.8 p -105.59 -165.63 1.13 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.179 173.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.461 ' HB2' ' H ' ' A' ' 53' ' ' VAL . 1.8 p -92.59 -153.63 0.35 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.812 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.485 HG12 ' ND2' ' A' ' 44' ' ' ASN . 35.9 m -68.18 124.59 24.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.905 0.86 . . . . 0.0 112.002 -171.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 40.0 mt -75.88 -1.49 25.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.092 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -65.35 -15.24 62.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.15 0.5 . . . . 0.0 111.081 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -90.92 41.03 1.04 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.417 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.42 159.38 23.82 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.966 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.3 134.72 37.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.854 0.359 . . . . 0.0 111.277 -170.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -82.95 122.35 37.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.529 174.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.14 142.37 50.23 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.827 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -84.08 120.02 25.65 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -131.23 115.12 15.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.852 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 62.28 28.72 17.12 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.531 0.681 . . . . 0.0 110.828 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.88 -0.24 79.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.632 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -109.1 156.04 20.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.766 0.317 . . . . 0.0 110.2 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 33' ' ' PRO . 79.4 mt -97.69 104.26 16.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.978 0.418 . . . . 0.0 110.06 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -107.36 149.94 27.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.232 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ARG . 7.9 p -109.03 127.81 65.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -110.5 109.32 19.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.817 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.57 ' HB3' HD13 ' A' ' 72' ' ' LEU . 14.2 m -86.51 115.38 61.99 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.77 3.56 2.71 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.125 2.55 . . . . 0.0 112.986 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' ' 70' ' ' SER . 7.3 mp -61.34 -57.73 11.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.862 176.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 25.0 mmtp -141.91 28.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 64.18 32.44 12.54 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.999 174.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -86.25 133.03 33.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.976 0.417 . . . . 0.0 110.241 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.645 ' HD2' ' SD ' ' A' ' 85' ' ' MET . 34.8 mtt85 -118.89 129.59 55.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.348 -174.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' A' ' 54' ' ' LEU . 31.6 m-85 -126.33 136.97 53.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.426 -176.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -83.59 113.91 21.16 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.5 mt -58.54 -29.31 66.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 t -60.52 -58.0 10.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.654 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -114.52 -12.95 12.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.01 15.11 58.24 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.073 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 88' ' ' GLU . 10.1 tp -67.97 131.66 45.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.706 0.288 . . . . 0.0 110.521 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.806 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 77.0 m -84.51 138.43 32.78 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.645 ' SD ' ' HD2' ' A' ' 76' ' ' ARG . 25.2 ttt -59.62 -56.41 22.31 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -176.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -92.53 -20.03 21.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.499 0.666 . . . . 0.0 110.867 -175.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 84' ' ' CYS . 38.6 m-20 -106.79 10.5 30.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.204 -171.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.411 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.8 pt-20 -34.39 -38.65 0.07 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.442 ' HG3' ' CD2' ' A' ' 90' ' ' PHE . 22.3 pt20 -60.58 -27.63 67.85 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 89' ' ' GLN . 92.3 m-85 -106.98 -61.76 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.217 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.806 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 65.6 m 63.59 -172.37 0.17 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.464 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.0 m -109.67 176.4 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.358 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -88.96 112.75 23.71 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.13 134.31 34.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.204 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.55 144.18 34.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 107' ' ' ARG . 23.1 tt0 -82.67 125.41 31.19 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -175.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.75 139.8 46.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.86 0.362 . . . . 0.0 111.311 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.415 ' NH2' ' HD2' ' A' ' 100' ' ' LYS . 12.0 ttp180 -144.57 137.15 26.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.148 178.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.529 HG21 HD12 ' A' ' 10' ' ' ILE . 95.7 t -97.97 104.76 16.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.452 0.644 . . . . 0.0 110.262 177.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' HD2' ' NH2' ' A' ' 98' ' ' ARG . 75.4 tttt -96.64 106.89 19.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.809 -177.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.7 t70 60.59 20.26 10.14 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.754 0.788 . . . . 0.0 110.427 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.01 2.73 51.89 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.648 -178.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.9 t -108.33 128.88 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.113 0.457 . . . . 0.0 110.095 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.18 116.89 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.492 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 15.3 mt-30 -113.93 146.38 40.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.49 HD11 HD11 ' A' ' 30' ' ' ILE . 82.2 mt -122.69 135.08 54.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.631 179.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.457 ' HB3' ' HB3' ' A' ' 96' ' ' GLU . 17.3 ttp85 -107.26 116.81 32.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.313 176.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.69 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.364 176.783 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.947 0.403 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -91.75 119.25 31.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.196 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -97.22 119.65 36.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.692 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.467 ' CG ' HE21 ' A' ' 105' ' ' GLN . 7.1 m-20 -69.21 103.32 1.9 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.755 174.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -74.48 -77.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.549 0.69 . . . . 0.0 110.681 -177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.9 m -151.84 177.38 10.48 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 9' ' ' LYS . 47.1 mtmt -80.09 147.18 31.53 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.272 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 99' ' ' VAL . 19.5 tt -67.12 -13.76 17.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.62 0.724 . . . . 0.0 109.928 178.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.04 -18.05 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.724 174.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -86.68 -7.68 58.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.434 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.4 mt -114.17 134.85 55.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.295 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 90.9 mt -97.78 169.11 8.96 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.583 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 38.7 Cg_exo -58.58 130.13 35.75 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.301 2.001 . . . . 0.0 112.363 175.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 57.17 53.01 8.23 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.743 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.9 p -135.92 174.98 10.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.709 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.542 ' O ' ' HB3' ' A' ' 55' ' ' SER . . . -141.12 137.19 7.99 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -118.64 177.83 2.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.661 0.267 . . . . 0.0 110.821 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.2 p -121.66 127.34 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.725 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.65 170.53 10.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.493 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 mt -112.11 121.33 44.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.866 0.365 . . . . 0.0 110.584 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 tt -124.18 111.68 16.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.05 -96.19 0.77 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.595 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -129.6 -5.82 4.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -114.72 164.77 13.59 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.922 -175.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -86.84 134.35 33.55 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.999 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.8 t -118.23 131.67 70.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.594 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.37 118.77 29.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.246 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.535 HD11 HD11 ' A' ' 106' ' ' LEU . 62.5 mt -104.38 108.87 25.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.615 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -101.87 132.32 47.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.987 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -111.0 99.96 44.89 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.551 ' HB2' HD13 ' A' ' 66' ' ' LEU . 87.2 Cg_endo -95.36 1.69 2.45 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.714 2.942 . . . . 0.0 113.243 -177.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.27 159.66 23.68 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.995 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.22 -12.66 59.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 173.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 p -92.24 -154.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.026 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.15 -24.24 30.28 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -57.5 122.95 13.88 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -172.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.17 162.41 33.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.333 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -134.32 152.93 52.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.224 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.36 129.02 36.87 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.226 0.536 . . . . 0.0 111.837 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 pt -132.21 171.03 18.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' A' ' 93' ' ' LYS . 5.9 t -62.08 132.99 54.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.544 HD21 HG12 ' A' ' 53' ' ' VAL . 66.9 t30 -83.31 -12.89 56.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.04 0.448 . . . . 0.0 110.869 -173.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 51' ' ' SER . 31.8 mm -103.31 113.0 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 -177.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.536 ' HB2' HD21 ' A' ' 54' ' ' LEU . 10.8 t70 -72.31 124.96 91.51 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 173.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.48 -32.36 4.92 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.422 2.081 . . . . 0.0 113.932 -174.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -91.53 -44.04 9.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.878 0.37 . . . . 0.0 111.551 -173.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -89.54 -21.57 22.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.691 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 41.0 tt0 61.81 90.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.745 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 32.7 t -131.89 135.33 46.58 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.063 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -71.16 -33.87 70.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.856 0.36 . . . . 0.0 110.555 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.544 HG12 HD21 ' A' ' 44' ' ' ASN . 11.3 m -128.79 124.41 61.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.797 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 46' ' ' ASP . 87.4 mt -92.51 -1.72 56.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.66 0.743 . . . . 0.0 109.196 168.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.542 ' HB3' ' O ' ' A' ' 18' ' ' GLY . 1.4 m -69.06 -3.64 13.95 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.852 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -90.74 40.79 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.448 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.57 162.57 24.65 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.888 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.702 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.0 pt? -102.97 155.21 18.52 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 33' ' ' PRO . 63.4 mt -109.68 122.52 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.919 0.39 . . . . 0.0 110.704 -175.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.77 154.35 20.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.689 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.22 137.73 51.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.529 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -130.52 79.66 1.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.097 173.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.51 28.51 11.45 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.286 172.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.59 -19.28 9.81 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.583 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.52 ' OE2' ' HD2' ' A' ' 78' ' ' ARG . 8.2 tp10 -92.65 138.61 31.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 33' ' ' PRO . 88.6 mt -114.9 123.89 50.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.2 0.524 . . . . 0.0 111.238 -173.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -120.81 129.57 53.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.282 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 8.6 p -96.49 125.25 49.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -111.69 113.79 26.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.605 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.7 m -93.73 110.84 49.85 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.257 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.07 -10.31 17.48 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.363 2.708 . . . . 0.0 112.946 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.8 mp -59.83 -34.23 72.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 21.6 tttm -147.27 10.23 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 12.8 ttpp 63.39 36.83 11.21 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.246 1.022 . . . . 0.0 108.463 -173.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -80.06 123.67 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.844 -174.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.653 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 74.4 mtt180 -114.75 114.38 25.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.544 -175.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 84' ' ' CYS . 88.9 m-85 -116.68 131.52 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.799 176.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.52 ' HD2' ' OE2' ' A' ' 65' ' ' GLU . 20.1 ttp85 -80.97 116.06 20.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.3 -17.66 64.33 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -171.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -60.61 -23.98 65.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.84 -69.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.163 0.506 . . . . 0.0 110.208 174.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.58 33.88 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.9 tp -85.45 110.94 19.52 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.535 -0.333 . . . . 0.0 110.537 -176.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.653 ' HA ' ' O ' ' A' ' 76' ' ' ARG . 49.0 t -84.98 134.22 34.24 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 82.6 mtp -62.91 -25.54 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.945 0.402 . . . . 0.0 111.189 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -93.1 -41.58 9.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.336 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 37.8 t70 -92.04 10.6 28.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.898 0.38 . . . . 0.0 111.13 -176.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -53.05 -6.82 0.06 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -61.36 -38.05 85.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 122.416 0.286 . . . . 0.0 110.379 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -140.33 -33.29 0.57 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.0 m 72.55 178.91 0.23 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.62 0.575 . . . . 0.0 111.479 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.6 m -101.41 -175.68 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.248 0.547 . . . . 0.0 112.3 -174.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 15.9 tptm -77.92 123.16 26.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.545 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -101.76 139.25 37.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.689 0.28 . . . . 0.0 110.714 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.61 152.63 40.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.817 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.558 ' HG3' ' NH2' ' A' ' 107' ' ' ARG . 30.9 mm-40 -84.06 131.95 34.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.42 135.18 47.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 -177.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -145.67 158.79 43.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 10' ' ' ILE . 40.6 t -110.81 102.67 14.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.21 0.529 . . . . 0.0 110.403 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.524 ' HD3' ' NE2' ' A' ' 105' ' ' GLN . 1.9 ttpm? -86.56 105.63 16.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.074 -178.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 48.94 29.28 2.29 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.196 0.935 . . . . 0.0 112.464 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.88 -11.78 34.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.748 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.3 t -100.15 124.4 53.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.36 123.41 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.524 ' NE2' ' HD3' ' A' ' 100' ' ' LYS . 78.7 mt-30 -117.22 138.74 51.5 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.722 0.296 . . . . 0.0 110.642 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.535 HD11 HD11 ' A' ' 30' ' ' ILE . 76.3 mt -118.85 142.63 47.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.322 177.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.558 ' NH2' ' HG3' ' A' ' 96' ' ' GLU . 17.6 ttp180 -123.65 111.24 15.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.945 174.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.622 178.795 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tmm? . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.747 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 10.2 m -142.98 121.86 12.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.635 -176.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -107.96 88.13 2.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.541 0.686 . . . . 0.0 110.484 178.284 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -74.33 92.4 2.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.982 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -83.03 128.07 34.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.708 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.32 127.02 31.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.571 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.402 HD12 ' HB1' ' A' ' 21' ' ' ALA . 47.2 mm -99.87 -67.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.061 0.458 . . . . 0.0 110.047 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.6 p -166.78 174.08 8.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.769 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 60.8 mttp -78.61 143.73 36.13 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.101 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 99' ' ' VAL . 17.3 tt -63.38 -13.4 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.515 -174.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.21 -29.14 69.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.37 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -71.84 -30.36 65.38 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.638 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.1 mt -90.42 107.89 18.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.094 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.29 158.79 44.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.106 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.23 134.02 43.2 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.122 2.548 . . . . 0.0 112.292 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.746 ' HA ' ' O ' ' A' ' 32' ' ' ARG . 1.8 pm0 36.99 68.99 0.23 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.248 0.968 . . . . 0.0 112.774 -172.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -140.15 157.9 44.89 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.609 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.5 140.81 12.51 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.233 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.51 157.73 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.542 0.21 . . . . 0.0 110.586 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -98.8 131.09 45.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 0.0 110.814 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' A' ' 7' ' ' ILE . . . -120.84 175.48 6.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.84 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.7 mt -125.01 117.51 24.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.817 0.341 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.1 tp -108.2 86.35 2.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 172.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.57 -103.19 1.39 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.118 -172.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -114.59 4.28 15.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.151 0.501 . . . . 0.0 110.174 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -90.6 117.64 29.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.665 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -79.94 103.97 10.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t -98.95 135.44 33.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.507 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -96.9 110.14 22.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.974 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.468 HD11 HD11 ' A' ' 106' ' ' LEU . 58.1 mt -92.0 108.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.741 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.465 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 88.3 m-85 -105.39 118.59 36.96 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.61 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.746 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 75.8 ttt180 -97.61 100.04 7.58 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 168.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HB2' HD13 ' A' ' 66' ' ' LEU . 68.0 Cg_endo -90.47 7.05 3.84 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.83 2.354 . . . . 0.0 113.439 -171.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.479 ' CZ ' HD11 ' A' ' 66' ' ' LEU . 66.6 m-85 -140.64 -168.81 2.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.262 0.553 . . . . 0.0 110.675 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -100.89 -15.98 17.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.57 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m -83.38 -164.82 0.95 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.026 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -84.5 9.71 12.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.588 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.561 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 73.1 mt-30 -82.32 111.99 18.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.613 -177.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 m -132.39 150.32 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.185 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -132.22 153.31 50.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.204 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.13 125.92 30.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 111.474 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.1 pt -131.48 -177.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.721 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 93' ' ' LYS . 22.0 t -65.97 132.5 48.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.45 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 27.6 t-20 -81.88 -11.69 58.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 0.0 110.561 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.1 mt -123.77 134.29 66.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.598 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -93.55 148.44 35.48 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.49 -10.05 3.29 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.451 2.1 . . . . 0.0 114.346 -173.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -91.42 -56.21 3.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.005 0.431 . . . . 0.0 111.1 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 40.6 t80 -101.18 -27.6 13.13 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.374 -174.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 70.89 81.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.763 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.1 m -101.96 113.89 27.52 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 167.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -57.76 -36.45 72.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.931 -171.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.9 m -129.11 124.1 59.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.86 173.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 43' ' ' SER . 79.2 mt -91.93 -10.87 37.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.373 0.606 . . . . 0.0 109.514 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 m -74.86 1.8 11.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.662 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -103.97 40.56 1.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.472 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.89 164.65 24.72 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.0 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.92 140.45 37.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.898 0.38 . . . . 0.0 110.625 -175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -86.63 126.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.159 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.48 146.52 38.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.507 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -85.2 152.83 23.05 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.45 0.643 . . . . 0.0 112.082 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -163.98 129.72 3.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.2 165.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 72.97 7.02 5.41 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.88 0.737 . . . . 0.0 111.165 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.52 9.93 64.17 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.236 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -114.42 159.31 20.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.567 HD13 ' HB2' ' A' ' 33' ' ' PRO . 39.3 mt -99.39 119.13 37.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.893 0.378 . . . . 0.0 110.54 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -117.59 134.18 55.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.817 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.7 p -96.43 119.98 45.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.59 122.54 43.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.748 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.459 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 15.9 m -86.17 115.41 61.84 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.083 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.472 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 21.0 Cg_exo -65.9 -6.95 15.38 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.488 2.792 . . . . 0.0 112.905 -175.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' H ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -61.98 -38.68 89.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.859 175.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.6 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -144.96 -113.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.93 176.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -140.71 25.14 2.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.718 0.294 . . . . 0.0 110.82 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -68.96 126.38 29.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.642 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -124.54 118.29 26.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.103 0.478 . . . . 0.0 110.55 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 84' ' ' CYS . 63.1 m-85 -107.36 120.69 42.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.542 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HD3' ' HB3' ' A' ' 83' ' ' LEU . 70.1 ttt180 -71.75 117.69 13.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.182 176.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.96 -17.06 59.88 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -171.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.85 -39.21 68.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.943 0.401 . . . . 0.0 111.485 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -144.15 -57.88 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.52 37.96 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 119.963 -1.113 . . . . 0.0 112.61 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.43 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 22.7 tp -88.91 99.42 12.39 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.881 0.372 . . . . 0.0 110.467 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.536 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 38.4 t -77.86 124.84 28.49 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 170.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -64.65 -15.69 61.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.196 0.522 . . . . 0.0 111.23 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -92.56 -29.62 16.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.519 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 21.4 t70 -107.04 10.42 30.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.047 -172.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.447 ' OE2' ' HG2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -49.97 -15.23 0.18 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -172.283 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG2' ' OE2' ' A' ' 88' ' ' GLU . 84.4 mm-40 -67.84 -38.99 83.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -110.12 -47.65 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.458 -174.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 m 76.83 144.36 0.08 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.774 0.83 . . . . 0.0 110.534 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.4 m -90.9 169.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.462 0.649 . . . . 0.0 112.429 -170.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 20.0 tptm -63.46 129.33 39.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.829 -178.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -118.44 133.99 55.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -118.5 154.28 32.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -91.23 134.33 34.65 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.761 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.59 130.11 49.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.891 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -131.6 151.73 51.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.207 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.423 HG21 HD12 ' A' ' 10' ' ' ILE . 61.3 t -99.6 97.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.035 175.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -101.74 113.89 27.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.363 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 61.18 24.82 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.218 0.532 . . . . 0.0 110.231 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.86 9.13 78.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.501 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 40.0 t -112.49 130.6 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.93 0.365 . . . . 0.0 110.245 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.9 t -76.99 121.12 28.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.23 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -118.98 142.99 47.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.508 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 30' ' ' ILE . 82.9 mt -114.59 138.94 50.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.573 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.747 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 19.6 ttp85 -120.54 132.35 55.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -139.44 -147.15 5.03 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 52.3 50.99 44.56 Favored Glycine 0 C--O 1.228 -0.239 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.373 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.213 -176.761 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.72 0.295 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.616 ' O ' ' HG3' ' A' ' 107' ' ' ARG . 12.5 p -120.11 -65.52 1.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.789 0.328 . . . . 0.0 110.119 176.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 60.31 38.01 19.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.508 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 96.5 m95 -56.08 115.52 2.47 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.794 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -112.25 122.56 48.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.595 178.793 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.52 ' HB2' HG11 ' A' ' 103' ' ' VAL . 5.6 p-10 -72.65 127.47 32.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.467 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.1 mm -102.16 -73.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.338 0.589 . . . . 0.0 110.771 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 80.9 m -143.35 177.7 8.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.021 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 35.6 mtmm -84.28 155.07 22.6 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.944 0.402 . . . . 0.0 110.743 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.412 HD11 ' HD2' ' A' ' 32' ' ' ARG . 9.9 tp -68.8 -20.17 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.594 0.712 . . . . 0.0 110.008 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.27 -14.62 63.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.72 -33.06 20.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.156 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -94.71 115.11 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.474 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.9 164.65 51.94 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.321 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.57 135.63 71.47 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.533 2.156 . . . . 0.0 112.54 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 62.17 37.4 14.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.045 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -124.1 142.95 50.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.612 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.77 137.13 12.58 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.88 161.3 20.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.845 0.355 . . . . 0.0 110.983 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.2 m -101.13 119.97 39.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.534 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.55 172.2 9.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.541 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.0 mt -125.82 135.12 51.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.644 0.259 . . . . 0.0 110.573 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.0 tp -131.12 113.88 14.44 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.75 -100.68 0.57 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.28 -174.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.68 -4.69 7.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.294 0.109 . . . . 0.0 111.294 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -102.83 149.45 24.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.986 0.422 . . . . 0.0 110.807 -173.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' HB2' HG12 ' A' ' 45' ' ' ILE . 24.2 mp0 -85.19 125.2 32.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.748 177.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.7 t -115.04 131.31 67.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.825 0.345 . . . . 0.0 110.412 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' N ' ' HB2' ' A' ' 44' ' ' ASN . . . -97.68 118.88 35.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.844 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.4 mt -103.79 112.44 37.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.428 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 97.9 m-85 -106.86 129.09 54.75 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.514 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HD2' HD11 ' A' ' 10' ' ' ILE . 76.2 ttt180 -107.96 100.08 34.12 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 172.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HB2' HD13 ' A' ' 66' ' ' LEU . 7.0 Cg_endo -86.63 -31.04 0.3 Allowed 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.291 2.661 . . . . 0.0 112.711 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -90.63 163.38 14.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 0.0 110.685 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -88.58 -5.22 58.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.241 176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.8 p -91.3 -158.12 0.54 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.227 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.442 ' HB2' ' HB ' ' A' ' 99' ' ' VAL . 8.6 p-10 -91.42 6.18 46.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.934 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -78.67 110.89 14.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.185 0.517 . . . . 0.0 111.209 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.4 158.23 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.373 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -132.81 146.93 52.24 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -131.71 136.78 47.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 0.0 111.361 -177.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.6 pt -136.44 177.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.085 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 93' ' ' LYS . 14.3 p -65.18 124.07 21.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.426 ' HB2' ' N ' ' A' ' 29' ' ' ALA . 65.3 t30 -85.67 3.38 41.25 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -174.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' A' ' 27' ' ' GLN . 40.4 mm -127.45 117.67 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -81.34 120.65 78.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 121.178 0.513 . . . . 0.0 110.045 174.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 14.4 Cg_endo -91.96 -6.59 3.41 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.331 2.687 . . . . 0.0 113.479 -177.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -91.48 -54.21 4.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.962 0.411 . . . . 0.0 110.595 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' ' HD2' ' A' ' 73' ' ' LYS . 90.9 t80 -92.07 -16.54 26.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 52.5 mt-10 65.97 50.72 1.44 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.568 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.417 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 32.1 t -102.4 129.34 48.85 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 169.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.2 m -76.44 -107.72 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.06 124.46 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.496 0.665 . . . . 0.0 112.465 -170.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.0 mt -89.65 -3.36 58.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.061 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -62.35 -21.6 65.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.924 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -88.18 40.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.395 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.495 ' HA2' ' HD2' ' A' ' 71' ' ' PRO . . . -134.37 162.83 24.63 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.879 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.52 141.27 32.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.911 0.386 . . . . 0.0 110.927 -174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 33' ' ' PRO . 59.4 mt -99.11 125.13 52.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.205 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.0 163.72 28.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 0.0 111.113 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.02 119.18 38.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -90.39 -70.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.647 0.26 . . . . 0.0 110.625 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.56 83.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.068 0.461 . . . . 0.0 110.221 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.93 80.82 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.755 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -148.68 149.12 30.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.242 0.544 . . . . 0.0 111.0 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.583 HD13 ' HB2' ' A' ' 33' ' ' PRO . 20.4 mt -97.33 122.69 40.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.758 -175.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 45.2 m95 -120.71 136.18 54.93 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.803 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 77' ' ' PHE . 7.0 p -102.08 113.96 40.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.452 0.644 . . . . 0.0 109.916 176.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.04 114.27 26.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.187 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.0 m -86.8 115.01 60.93 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.229 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.495 ' HD2' ' HA2' ' A' ' 57' ' ' GLY . 43.6 Cg_endo -67.86 0.01 4.86 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.049 2.499 . . . . 0.0 112.033 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' HE3' ' A' ' 73' ' ' LYS . 70.2 mt -58.97 -37.6 77.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.907 174.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.709 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -151.41 -103.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.869 174.746 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' H ' ' HB3' ' A' ' 73' ' ' LYS . 54.2 mtmt -145.16 27.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.419 0.628 . . . . 0.0 109.855 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.488 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 7.3 mp0 -83.1 112.57 19.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.484 -177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.627 ' HD3' ' HB3' ' A' ' 85' ' ' MET . 0.0 OUTLIER -106.78 112.26 25.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 75' ' ' GLN . 93.5 m-85 -100.8 134.73 43.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.369 0.604 . . . . 0.0 111.306 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.889 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 67.6 ttt180 -82.98 111.61 18.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.39 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -27.68 61.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.947 0.403 . . . . 0.0 111.195 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p -79.98 -9.2 59.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.233 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.889 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 8.4 t70 -149.94 -62.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -175.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.416 ' H ' ' HB3' ' A' ' 78' ' ' ARG . . . 138.41 -17.95 3.29 Favored Glycine 0 C--N 1.323 -0.182 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.348 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.458 HD12 ' OG ' ' A' ' 91' ' ' SER . 14.3 tp -52.92 125.41 16.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.436 -0.382 . . . . 0.0 111.289 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.23 134.18 34.15 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.627 ' HB3' ' HD3' ' A' ' 76' ' ' ARG . 15.2 ttt -64.58 -32.62 74.35 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.3 -175.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.42 -48.83 6.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.534 0.683 . . . . 0.0 110.494 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -88.42 10.74 19.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.741 -173.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.74 -32.36 0.06 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -60.92 -28.33 68.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.138 0.494 . . . . 0.0 110.575 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -105.71 -65.41 1.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.444 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.458 ' OG ' HD12 ' A' ' 83' ' ' LEU . 62.6 m 69.47 149.47 0.08 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.028 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.471 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 17.3 m -92.96 -169.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.957 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 85.0 tttt -95.29 139.7 31.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.68 -173.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -120.69 135.32 55.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.961 0.41 . . . . 0.0 110.824 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -112.91 160.88 17.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.814 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.88 124.68 45.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 174.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.74 147.08 45.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.984 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.553 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 9.2 ptm85 -148.5 162.79 38.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.344 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 37' ' ' ASP . 98.2 t -104.79 113.74 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.962 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -124.07 125.01 43.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.989 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 63.85 17.99 10.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.392 0.615 . . . . 0.0 109.6 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.8 16.53 67.76 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.727 -174.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 6' ' ' ASP . 65.6 t -121.97 134.89 63.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.767 0.317 . . . . 0.0 110.634 -175.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.33 122.51 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 79.0 mt-30 -117.59 144.04 45.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.094 177.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.5 mt -113.47 136.36 52.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' ' 2' ' ' SER . 37.1 ttp180 -120.33 119.97 34.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.905 173.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -161.83 -142.76 3.48 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.133 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.92 -171.53 33.13 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.847 -0.597 . . . . 0.0 110.76 179.813 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.577 0.227 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.55 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 4.7 p -136.84 107.18 6.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.141 0.496 . . . . 0.0 111.644 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -105.65 91.35 3.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.714 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' NE1' ' HD3' ' A' ' 107' ' ' ARG . 85.1 m95 -87.1 99.2 11.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.33 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -79.78 129.65 34.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.204 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.502 ' HB2' HG11 ' A' ' 103' ' ' VAL . 7.8 p-10 -80.64 126.73 31.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.189 0.519 . . . . 0.0 109.705 174.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -93.01 -69.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.163 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -154.53 167.23 30.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.394 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -67.15 150.99 48.38 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 tp -58.98 -21.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 111.074 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.16 -19.7 63.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.461 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.94 -27.56 60.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.632 HD12 HG21 ' A' ' 104' ' ' VAL . 20.4 mt -111.65 100.41 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.011 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.17 162.47 69.13 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.241 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.53 147.64 90.71 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.248 1.965 . . . . 0.0 111.761 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 63.44 25.76 14.64 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 123.594 0.559 . . . . 0.0 110.699 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.4 m -122.96 145.62 48.32 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.915 0.388 . . . . 0.0 111.751 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.38 131.09 7.98 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.156 -0.545 . . . . 0.0 111.884 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 m -118.94 175.83 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.836 0.351 . . . . 0.0 110.79 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 p -121.11 140.41 52.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.13 -177.31 5.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.498 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.4 tt -130.56 127.9 40.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 106' ' ' LEU . 57.5 tp -127.39 111.85 14.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.113 0.483 . . . . 0.0 110.322 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.94 -93.59 1.29 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.102 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -126.1 -25.95 3.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.739 0.304 . . . . 0.0 110.933 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.18 167.26 9.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.197 0.522 . . . . 0.0 111.385 -170.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -92.57 131.46 37.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.542 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.402 HG21 ' HB3' ' A' ' 23' ' ' LEU . 52.4 t -115.83 138.07 47.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.501 -176.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -102.25 120.18 40.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.773 177.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 106' ' ' LEU . 52.2 mt -106.14 114.88 46.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.16 -177.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.16 130.13 55.73 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.768 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -112.85 99.6 48.65 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.43 -40.68 0.32 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.029 2.486 . . . . 0.0 112.372 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CE1' HD11 ' A' ' 66' ' ' LEU . 93.3 m-85 -90.14 161.5 15.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.182 0.515 . . . . 0.0 111.553 -172.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -78.06 -11.25 59.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.348 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.4 m -86.44 -166.63 1.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.772 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -92.24 30.29 1.49 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -97.03 110.77 23.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.788 0.327 . . . . 0.0 110.602 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 m -122.11 150.55 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.491 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.58 139.1 52.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.053 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.18 127.31 46.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.966 0.413 . . . . 0.0 111.489 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.28 -176.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.957 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.511 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 15.2 m -68.84 139.77 55.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.516 HD21 HG12 ' A' ' 53' ' ' VAL . 66.6 t30 -87.37 -1.53 57.98 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -172.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.0 mt -113.82 128.11 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.034 0.445 . . . . 0.0 111.873 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.716 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.6 OUTLIER -88.42 128.26 53.75 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.511 174.771 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -86.63 -7.96 7.33 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.873 2.382 . . . . 0.0 113.838 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 87' ' ' ASP . 75.8 m-85 -80.12 -60.8 2.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 0.0 111.466 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 73' ' ' LYS . 99.1 m-85 -112.59 10.65 19.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.965 0.412 . . . . 0.0 110.417 -175.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 61.37 73.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.066 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.716 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 15.3 m -102.42 116.39 32.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.525 -0.761 . . . . 0.0 108.994 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 p -71.45 -31.34 67.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.312 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.516 HG12 HD21 ' A' ' 44' ' ' ASN . 14.8 m -128.43 124.61 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.114 0.483 . . . . 0.0 111.082 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 46' ' ' ASP . 74.6 mt -90.77 -8.22 50.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.52 . . . . 0.0 109.683 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -64.56 -15.72 61.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.145 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -91.61 39.37 1.0 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.479 0.656 . . . . 0.0 110.008 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.468 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.81 158.74 23.64 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.832 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.755 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.5 pt? -98.63 145.94 26.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.7 mt -92.96 109.67 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.322 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -119.08 122.21 41.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.554 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -73.88 130.28 39.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.021 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.658 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 36.9 m80 -135.07 117.07 15.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.601 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 62.93 21.8 13.08 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.842 0.714 . . . . 0.0 111.763 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.8 -16.43 56.08 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.705 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -100.34 149.43 23.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.682 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.401 HD11 ' CE1' ' A' ' 34' ' ' TYR . 79.7 mt -90.16 108.53 19.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.441 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.658 ' CD1' ' HB2' ' A' ' 62' ' ' HIS . 76.0 m95 -109.93 130.73 55.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.084 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.1 p -96.6 124.6 49.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 174.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -103.06 123.01 45.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.618 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.454 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 14.6 m -85.49 111.63 38.37 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.437 178.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 11.9 Cg_exo -71.89 -0.45 8.46 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.491 2.794 . . . . 0.0 112.75 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' H ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -62.43 -32.52 73.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 39.8 tptt -150.81 -75.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 172.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 73' ' ' LYS . 3.6 tppp? 169.98 71.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.167 0 O-C-N 124.117 0.886 . . . . 0.0 109.855 171.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -100.57 144.32 29.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.478 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -121.53 115.4 22.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.17 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.413 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 87.7 m-85 -115.97 136.45 53.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.808 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 53.4 ttt180 -93.09 101.74 14.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.281 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.92 -37.57 87.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.835 -173.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 m -56.16 -35.14 66.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.649 -172.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -126.96 -23.93 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.894 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.76 ' HA3' ' HB2' ' A' ' 94' ' ' HIS . . . 105.14 -0.13 41.09 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.091 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.458 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 21.5 tp -70.34 150.35 46.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 52.8 t -105.87 146.0 30.5 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 170.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.423 ' HB3' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -66.95 -56.62 9.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.88 0.372 . . . . 0.0 110.741 -176.662 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.423 ' OE1' ' HB3' ' A' ' 85' ' ' MET . 2.1 mp0 -79.73 -31.01 41.05 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 3.8 t70 -95.02 10.78 34.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.616 0.246 . . . . 0.0 110.996 -175.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -40.38 -27.73 0.05 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -53.43 -45.94 69.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.207 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -124.35 -56.26 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.583 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.1 m 68.24 -173.35 0.19 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.996 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 43' ' ' SER . 26.9 m -95.02 174.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.074 -176.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -89.6 118.95 29.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.76 ' HB2' ' HA3' ' A' ' 82' ' ' GLY . 53.9 t-80 -90.91 126.08 35.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.661 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CD2' HD23 ' A' ' 23' ' ' LEU . 84.4 m-85 -96.48 166.42 11.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.66 0.267 . . . . 0.0 110.415 -178.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 37.2 mt-10 -90.9 115.82 28.24 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.57 150.61 47.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.817 0.341 . . . . 0.0 111.741 -174.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -165.82 170.91 13.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.422 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.6 t -104.69 110.88 32.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.991 0.424 . . . . 0.0 110.192 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.571 ' CB ' ' HG3' ' A' ' 105' ' ' GLN . 21.6 ttpp -106.45 116.23 31.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.078 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.457 ' OD2' ' HG2' ' A' ' 100' ' ' LYS . 15.7 m-20 63.95 17.65 10.7 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.424 0.452 . . . . 0.0 110.837 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.73 12.35 60.86 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.068 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.502 HG11 ' HB2' ' A' ' 6' ' ' ASP . 59.3 t -116.58 137.6 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.632 HG21 HD12 ' A' ' 13' ' ' ILE . 47.1 t -74.25 120.91 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.788 0.328 . . . . 0.0 110.351 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HG3' ' CB ' ' A' ' 100' ' ' LYS . 4.7 mm100 -117.29 136.61 52.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.519 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 30' ' ' ILE . 77.4 mt -122.45 128.59 51.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.271 0.357 . . . . 0.0 110.596 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.55 ' HD2' ' HA ' ' A' ' 2' ' ' SER . 18.5 ttp180 -110.14 120.03 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.428 0.632 . . . . 0.0 110.445 173.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.58 -139.81 3.51 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.72 174.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.3 87.3 1.95 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.21 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.5 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.958 177.842 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.648 0.261 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -90.92 11.5 22.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.841 0.353 . . . . 0.0 111.579 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -64.39 114.09 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 88.6 m95 -52.29 109.03 0.34 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.204 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -78.33 112.0 14.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.101 -175.553 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.95 111.88 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 170.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.1 mm -88.75 -76.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.237 0.541 . . . . 0.0 110.392 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.9 m -150.47 173.24 14.29 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 94.6 mttt -79.54 142.82 35.4 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.838 0.352 . . . . 0.0 110.302 178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 ' HD2' ' A' ' 32' ' ' ARG . 10.1 tp -71.76 -6.7 7.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.683 0.754 . . . . 0.0 109.936 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.84 -26.42 65.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.216 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.51 -44.88 16.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.359 0.6 . . . . 0.0 110.608 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.406 ' HB ' HD12 ' A' ' 10' ' ' ILE . 44.5 mt -77.25 106.0 6.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.501 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.64 165.22 47.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.69 145.25 98.63 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.282 1.988 . . . . 0.0 111.818 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.43 26.85 15.05 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.109 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -118.77 138.18 52.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.952 0.405 . . . . 0.0 111.421 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -118.82 136.69 12.26 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -121.74 166.61 16.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.647 0.261 . . . . 0.0 110.972 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.9 m -112.33 108.4 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.021 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.53 -179.38 3.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 23' ' ' LEU . 2.4 tt -123.05 126.82 47.83 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 22' ' ' LEU . 7.6 tt -124.22 100.86 6.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.27 -87.31 0.4 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.96 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -126.55 -23.78 3.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.96 0.41 . . . . 0.0 110.756 177.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -90.61 158.94 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -103.26 124.31 48.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.505 0.669 . . . . 0.0 110.356 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.5 t -109.71 135.81 47.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.694 -174.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -92.82 115.88 28.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.607 176.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.423 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 61.8 mt -102.73 119.8 51.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.793 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.437 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 99.4 m-85 -112.33 123.08 49.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HD2' HD11 ' A' ' 10' ' ' ILE . 72.1 ttt180 -100.64 100.22 11.93 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 169.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.49 ' HB2' HD13 ' A' ' 66' ' ' LEU . 72.7 Cg_endo -87.16 -31.19 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.831 2.354 . . . . 0.0 113.299 -175.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.89 175.04 5.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.801 0.334 . . . . 0.0 110.386 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -86.72 -19.35 29.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 t -82.16 -165.3 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.101 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.545 ' HB2' HG21 ' A' ' 99' ' ' VAL . 5.9 p-10 -92.16 17.32 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.08 0.467 . . . . 0.0 111.335 -176.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.429 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 6.9 tp60 -80.91 107.62 13.88 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.6 m -127.01 163.55 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 111.418 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -136.06 153.04 51.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.706 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.43 130.46 23.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.955 0.407 . . . . 0.0 111.304 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 94' ' ' HIS . 6.4 pt -140.59 176.55 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.417 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.596 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 15.0 p -60.56 125.33 23.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.476 0.179 . . . . 0.0 111.085 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 54.1 t30 -68.91 -42.13 77.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.042 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 51' ' ' SER . 60.5 mt -88.72 113.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.91 0.386 . . . . 0.0 110.605 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.709 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER -69.88 120.06 75.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.362 173.042 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 84.1 Cg_endo -86.84 -7.39 7.33 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.996 2.464 . . . . 0.0 113.629 -173.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -91.47 -56.07 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.839 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -95.82 -9.06 32.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.079 0.466 . . . . 0.0 110.041 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 68.11 73.73 0.29 Allowed 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.948 -175.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.709 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 17.4 m -107.41 114.01 27.74 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -69.95 -29.54 66.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 t -125.14 123.83 66.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.853 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 44' ' ' ASN . 15.9 tp -92.34 -23.51 19.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -68.46 -9.17 47.0 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.028 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 17.2 ttm180 -90.03 40.9 1.02 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.418 0.628 . . . . 0.0 110.043 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.79 164.64 24.69 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.914 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 pp -107.95 151.53 25.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.856 0.36 . . . . 0.0 110.949 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.1 mt -94.77 115.01 32.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.17 143.46 45.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 168.24 18.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.071 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -139.71 -56.56 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.632 0.253 . . . . 0.0 110.376 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -168.18 31.78 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.358 0.599 . . . . 0.0 110.005 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.23 30.74 2.4 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -138.72 151.41 47.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -174.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 33' ' ' PRO . 71.5 mt -111.59 101.95 10.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.258 0.551 . . . . 0.0 110.296 176.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.555 ' HB2' HH21 ' A' ' 76' ' ' ARG . 76.7 m95 -102.66 137.08 41.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.867 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.62 119.5 44.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.95 121.84 43.37 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.787 -176.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.452 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 45.5 t -82.52 109.86 18.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.757 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 14.4 Cg_exo -69.59 -8.01 22.48 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.209 2.606 . . . . 0.0 112.005 -177.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.91 -27.41 68.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.745 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -138.07 -92.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.371 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -176.11 22.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.016 0.526 . . . . 0.0 109.806 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -82.28 128.01 33.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.243 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.555 HH21 ' HB2' ' A' ' 67' ' ' TRP . 25.6 mtp180 -112.87 123.84 51.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.931 0.396 . . . . 0.0 110.264 177.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -111.41 143.46 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.434 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -89.2 114.37 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.5 mt -54.53 -32.04 57.43 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -171.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.9 p -65.52 -41.11 93.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -173.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -109.41 -16.82 13.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.741 0.305 . . . . 0.0 111.414 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 91' ' ' SER . . . 73.5 26.68 69.31 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -169.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 88' ' ' GLU . 5.0 tp -90.09 136.33 33.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.799 -0.701 . . . . 0.0 110.523 -174.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 87' ' ' ASP . 24.0 t -86.31 147.76 25.92 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ttt -57.02 -67.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -92.42 -18.47 23.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.476 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 13.1 m-20 -95.77 10.8 35.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.269 -174.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.481 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.0 pt-20 -33.89 -41.65 0.1 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -170.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -66.56 -31.91 72.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.904 0.775 . . . . 0.0 111.224 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -107.3 42.09 1.38 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.492 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' A' ' 82' ' ' GLY . 73.1 m -71.65 178.02 3.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.068 0.461 . . . . 0.0 111.919 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.596 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 35.4 m -91.02 -175.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.432 -174.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 45.0 tttp -88.59 124.58 34.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.259 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.543 ' HA ' HG22 ' A' ' 42' ' ' ILE . 21.9 t-80 -107.53 128.84 54.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 111.108 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.456 ' OH ' ' HD3' ' A' ' 93' ' ' LYS . 83.0 m-85 -107.26 167.26 10.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.077 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -95.38 132.11 40.78 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.88 147.38 47.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.892 0.377 . . . . 0.0 111.619 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -155.43 157.57 37.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.862 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 37' ' ' ASP . 85.4 t -105.73 112.55 39.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.338 0.59 . . . . 0.0 110.639 177.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -91.06 90.44 7.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.444 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 57.0 23.18 8.05 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.693 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.4 ' H ' HG12 ' A' ' 99' ' ' VAL . . . 112.29 -7.73 26.78 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.762 -177.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 48.1 t -103.87 129.06 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.802 0.301 . . . . 0.0 110.509 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.5 122.22 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 122.361 -0.212 . . . . 0.0 110.689 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 61.0 mt-30 -117.78 143.63 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.617 0.246 . . . . 0.0 110.377 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.2 mt -128.15 139.96 52.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -113.72 113.61 25.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 171.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -124.18 166.03 16.89 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.257 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -82.65 68.26 3.57 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.217 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.7 m . . . . . 0 C--O 1.246 0.89 0 CA-C-O 119.008 -0.52 . . . . 0.0 110.128 177.73 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.611 0.243 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.989 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 4.2 m -90.65 109.8 20.96 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -93.97 100.31 12.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.014 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.429 ' CD2' ' HB2' ' A' ' 107' ' ' ARG . 81.0 m95 -89.7 95.59 10.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -89.52 122.43 32.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.792 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.64 112.33 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -81.82 -69.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.418 0.628 . . . . 0.0 110.1 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -162.18 177.03 10.03 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 57.6 mttm -81.86 158.93 23.85 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.485 -177.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.98 -11.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.451 0.643 . . . . 0.0 110.834 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -77.73 -21.83 51.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.343 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.69 -49.66 10.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.049 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.0 mt -86.96 101.49 11.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.6 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 86.5 mt -76.67 167.7 34.44 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.904 -177.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 17.0 Cg_endo -57.23 143.37 93.69 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.719 2.28 . . . . 0.0 111.892 174.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 61.77 35.09 16.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.786 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 m -126.47 136.58 52.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.45 139.42 14.12 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.15 148.74 33.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.897 0.379 . . . . 0.0 110.95 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 p -97.62 113.39 25.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.155 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.37 179.93 3.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.264 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.55 125.16 33.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.696 0.284 . . . . 0.0 110.816 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 tp -117.15 115.31 25.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.81 -102.56 0.99 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -171.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -129.54 -0.14 4.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.844 0.354 . . . . 0.0 110.424 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.15 148.26 22.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.256 0.55 . . . . 0.0 110.88 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -87.11 118.98 26.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.338 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -112.14 133.77 56.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.24 118.51 36.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.127 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 106' ' ' LEU . 56.3 mt -101.79 122.57 54.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.924 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.11 125.0 49.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.877 0.37 . . . . 0.0 110.995 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -108.71 100.23 37.93 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.521 ' HB3' HG21 ' A' ' 59' ' ' ILE . 74.2 Cg_endo -80.19 -43.23 0.13 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.953 2.435 . . . . 0.0 113.16 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 66' ' ' LEU . 69.2 m-85 -90.01 171.19 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.233 0.539 . . . . 0.0 110.922 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 8.4 t-80 -86.91 -3.54 59.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.53 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.67 ' HB2' ' OE1' ' A' ' 38' ' ' GLN . 1.5 m -97.72 -150.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.922 -176.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -90.55 6.38 43.85 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.67 ' OE1' ' HB2' ' A' ' 36' ' ' SER . 27.1 mp0 -79.87 109.67 14.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 111.378 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 m -126.57 143.7 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.911 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -126.96 148.67 50.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.399 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.65 129.04 38.32 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.034 0.445 . . . . 0.0 111.368 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.5 pt -135.7 169.54 20.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.266 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.3 m -60.41 129.38 41.37 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 64.1 t30 -74.53 -15.17 60.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.485 -175.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' SER . 50.7 mt -121.64 128.33 75.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.787 178.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -83.81 148.52 54.54 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.735 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -84.04 -24.91 2.47 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.94 2.426 . . . . 0.0 114.313 -172.553 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -91.61 -45.21 8.6 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -170.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 51.8 t80 -107.2 -8.03 16.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.923 0.392 . . . . 0.0 110.153 -176.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 10.1 pt-20 48.87 80.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.653 1.181 . . . . 0.0 113.322 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 3.4 m -102.05 114.16 28.04 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 169.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' HG12 ' A' ' 45' ' ' ILE . 13.4 m -59.48 -39.36 83.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -171.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.411 HG12 HD21 ' A' ' 44' ' ' ASN . 13.6 m -128.51 124.17 61.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.182 0.515 . . . . 0.0 111.613 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 79.8 mt -92.44 -15.03 27.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.304 170.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 m -68.42 -13.69 62.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.43 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -92.14 40.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.545 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.85 164.6 24.71 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.904 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.84 143.3 26.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.808 0.337 . . . . 0.0 110.795 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 33' ' ' PRO . 62.4 mt -102.81 129.6 54.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.826 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.28 143.07 30.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.053 0.454 . . . . 0.0 111.574 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.97 105.25 17.68 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -78.98 -55.53 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.231 -173.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -168.75 85.13 0.16 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.196 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.24 -6.89 58.79 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.69 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -139.76 144.6 37.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 110.705 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 34' ' ' TYR . 69.6 mt -88.12 120.29 29.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.681 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -117.26 136.09 53.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.789 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.6 p -109.53 139.37 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.94 116.51 17.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.865 0.364 . . . . 0.0 111.717 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.482 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 14.7 m -77.95 119.91 79.22 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.506 174.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.545 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 24.3 Cg_exo -64.34 -8.76 17.67 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.605 2.87 . . . . 0.0 114.006 -172.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.609 HD22 ' H ' ' A' ' 72' ' ' LEU . 3.0 mm? -52.53 -70.78 0.08 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.121 0.486 . . . . 0.0 110.538 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 70.5 mmtt -118.97 9.43 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.023 175.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 74' ' ' LYS . 4.4 ttmp? 59.57 66.58 0.99 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.552 -176.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -89.24 121.63 31.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.909 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 1.4 mpt_? -95.86 122.29 38.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.209 -174.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.36 120.71 37.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.697 0.284 . . . . 0.0 110.693 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.588 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 57.0 ttp180 -75.77 107.49 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.48 -31.32 65.87 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.85 -174.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -45.32 -50.3 12.13 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.046 0.841 . . . . 0.0 111.922 -176.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.501 ' HA ' ' CD2' ' A' ' 94' ' ' HIS . 31.5 t70 -144.29 20.35 1.73 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.276 0.56 . . . . 0.0 111.419 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.99 41.75 80.59 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.636 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.588 ' HB3' ' HB3' ' A' ' 78' ' ' ARG . 9.0 tp -94.16 104.78 16.79 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.469 -178.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.8 t -70.46 133.3 46.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 172.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 ttt -65.07 -34.97 79.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.939 0.4 . . . . 0.0 110.904 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -88.86 -49.77 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.586 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -83.77 10.49 9.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.324 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.551 ' HG3' HD11 ' A' ' 83' ' ' LEU . 41.8 tt0 -36.18 -35.16 0.07 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.399 1.48 . . . . 0.0 113.702 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -45.94 -42.77 13.3 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 123.473 0.483 . . . . 0.0 111.86 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -128.95 -23.52 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.111 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.8 m 67.82 -168.7 0.19 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.337 0.398 . . . . 0.0 111.38 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 m -114.57 -168.87 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.333 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -80.49 130.92 35.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 81' ' ' ASP . 41.9 t-80 -103.69 114.77 29.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.769 174.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -97.02 145.98 25.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.967 0.413 . . . . 0.0 110.507 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -86.92 114.88 23.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.561 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -112.86 146.4 38.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -150.53 169.15 22.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.808 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.91 94.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.339 0.59 . . . . 0.0 109.957 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -83.36 97.36 8.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.231 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.4 t70 58.29 16.74 4.2 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.454 0.645 . . . . 0.0 111.253 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.16 3.06 27.98 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.554 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 58.3 t -109.8 128.14 66.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.553 0.216 . . . . 0.0 110.643 178.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.11 121.56 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 27.8 mt-30 -116.53 153.88 31.41 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.862 176.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.561 HD11 HD11 ' A' ' 30' ' ' ILE . 74.3 mt -122.95 127.91 49.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.895 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.989 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 10.4 ttp180 -110.56 115.19 29.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.082 0.468 . . . . 0.0 109.919 171.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -122.09 87.64 0.4 Allowed Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -70.86 86.95 0.37 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.232 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.76 177.53 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.485 ' OG ' ' HD3' ' A' ' 107' ' ' ARG . 47.8 t -157.58 -68.15 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.314 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 56.34 75.45 0.34 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.233 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 94.3 m95 -71.77 87.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 171.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 44.5 tptt -73.14 113.16 9.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.453 -175.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.05 115.24 13.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.052 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 mm -91.09 -81.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.874 -175.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.5 m -140.19 170.58 15.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.153 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 57.1 mtpt -79.07 144.85 34.2 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 99' ' ' VAL . 18.1 tt -68.62 -7.53 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.632 0.729 . . . . 0.0 110.279 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.88 -19.53 60.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.019 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -86.54 -42.78 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mt -79.87 104.91 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.039 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.18 156.6 91.62 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.617 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.57 142.85 95.67 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.493 2.128 . . . . 0.0 111.84 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 67.32 30.7 6.91 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.913 0.758 . . . . 0.0 110.785 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 m -127.34 136.33 51.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.525 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.76 136.01 10.42 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -126.0 158.26 35.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.856 0.36 . . . . 0.0 111.24 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -103.93 108.5 19.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.375 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.03 151.26 20.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.542 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -100.83 100.29 10.92 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -97.93 85.22 3.47 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.1 -116.88 4.91 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -168.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -107.47 0.75 23.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.311 0.577 . . . . 0.0 109.85 172.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -85.25 112.86 21.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.044 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -78.92 109.73 13.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.181 0.515 . . . . 0.0 109.767 175.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.55 HG11 HD13 ' A' ' 106' ' ' LEU . 31.4 t -101.91 129.38 53.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.21 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -90.62 106.89 18.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.346 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.522 HD11 HD11 ' A' ' 106' ' ' LEU . 52.1 mt -92.97 113.16 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.567 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.607 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 96.1 m-85 -107.54 122.83 47.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.79 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -106.47 100.12 28.34 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 167.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.497 ' HB2' HD13 ' A' ' 66' ' ' LEU . 73.6 Cg_endo -92.51 -25.01 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.763 2.309 . . . . 0.0 113.179 -177.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -98.64 166.18 11.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.171 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -83.21 -9.74 58.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.434 0.635 . . . . 0.0 109.369 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 m -79.65 -167.28 1.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.904 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -96.18 31.29 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.547 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -105.02 116.01 31.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.641 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.7 m -127.76 153.85 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.299 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -131.55 151.01 51.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.358 -0.383 . . . . 0.0 109.982 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -133.49 128.34 35.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.133 0.492 . . . . 0.0 111.541 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.9 pt -134.2 -176.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.134 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 54' ' ' LEU . 14.4 m -65.27 122.1 16.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 175.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.489 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 9.1 t30 -75.32 -31.74 60.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.795 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.637 HG12 ' O ' ' A' ' 52' ' ' SER . 22.2 mt -109.1 127.77 65.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.398 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -78.11 122.6 85.56 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.146 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 5.8 Cg_endo -87.17 -7.16 7.09 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.094 2.529 . . . . 0.0 113.497 -174.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -90.39 -56.4 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.079 0.466 . . . . 0.0 110.18 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.6 ' HZ ' ' HE2' ' A' ' 73' ' ' LYS . 49.0 t80 -95.32 -10.58 29.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.675 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 42.0 mt-10 65.43 64.4 0.6 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.361 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.6 m -102.45 117.42 34.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.84 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.637 ' O ' HG12 ' A' ' 45' ' ' ILE . 21.1 m -65.5 -42.19 92.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -167.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.701 HG21 ' HD3' ' A' ' 56' ' ' ARG . 6.6 m -128.72 124.01 60.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 43' ' ' SER . 74.9 mt -92.63 -24.28 18.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.084 167.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.607 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 3.4 p -63.77 -28.04 69.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.143 -175.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.701 ' HD3' HG21 ' A' ' 53' ' ' VAL . 69.2 mtp180 -86.99 41.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.843 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.55 164.64 24.61 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.146 -175.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 58' ' ' LEU . 2.8 mm? -81.71 142.76 32.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.79 0.328 . . . . 0.0 111.174 -172.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.25 105.3 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.627 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.99 149.67 32.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.297 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.0 141.73 43.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.729 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 67' ' ' TRP . 51.8 t-80 -129.36 78.2 1.84 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.618 172.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 59.76 18.68 7.49 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.649 174.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.75 -42.9 1.03 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.253 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.58 158.6 18.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 33' ' ' PRO . 88.8 mt -106.51 117.81 35.02 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.153 0.502 . . . . 0.0 110.158 175.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.431 ' CZ2' ' HD3' ' A' ' 78' ' ' ARG . 37.4 m95 -111.1 133.45 53.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.417 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -96.79 127.97 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.108 0.48 . . . . 0.0 110.204 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -111.97 116.89 31.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.486 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 p -80.5 123.18 82.97 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.52 0.06 8.07 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.79 2.326 . . . . 0.0 112.409 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.6 -61.44 2.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.6 ' HE2' ' HZ ' ' A' ' 49' ' ' PHE . 17.7 tptt -131.85 12.52 4.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.016 0.436 . . . . 0.0 109.976 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 62.19 67.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.048 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -110.31 147.49 33.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.79 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' HE3' ' A' ' 67' ' ' TRP . 20.5 ttt180 -124.69 117.91 25.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.152 0.501 . . . . 0.0 111.132 -172.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -119.22 142.08 48.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.441 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.431 ' HD3' ' CZ2' ' A' ' 67' ' ' TRP . 53.0 ttp180 -89.59 95.09 10.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 80' ' ' SER . 2.2 pp -62.61 -17.7 60.77 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.442 ' N ' HD12 ' A' ' 79' ' ' LEU . 45.9 t -62.94 -55.49 25.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.606 0.241 . . . . 0.0 111.022 -178.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -110.05 -12.88 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.571 0.224 . . . . 0.0 111.481 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.47 14.24 51.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.781 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.513 HD11 ' HG3' ' A' ' 88' ' ' GLU . 13.7 tp -77.45 145.29 37.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.769 0.318 . . . . 0.0 110.693 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.53 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 23.2 t -100.16 145.35 28.12 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 171.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.3 ttt -60.92 -62.62 1.73 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -173.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -12.74 30.61 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.53 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 11.9 t70 -98.26 10.74 39.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 109.759 176.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' HG3' HD11 ' A' ' 83' ' ' LEU . 35.1 tt0 -34.29 -38.17 0.06 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.758 1.223 . . . . 0.0 113.972 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.3 pm0 -59.47 -23.12 62.47 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -132.1 -65.41 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.222 -0.299 . . . . 0.0 110.943 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.3 m 69.35 179.88 0.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 112.288 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 m -91.24 -179.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.588 -174.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -90.05 124.79 35.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.853 -175.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -90.01 136.65 32.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.34 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.411 ' CD1' HG13 ' A' ' 28' ' ' VAL . 67.3 m-85 -109.52 135.7 50.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 37.6 mm-40 -77.49 120.4 22.42 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.277 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.74 146.26 42.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.975 0.417 . . . . 0.0 111.524 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -150.23 156.49 41.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.594 173.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.423 HG21 HD12 ' A' ' 10' ' ' ILE . 63.5 t -104.3 99.85 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.125 0.488 . . . . 0.0 110.247 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -94.03 105.18 17.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.488 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.8 t70 63.14 11.01 4.94 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.547 0.689 . . . . 0.0 110.869 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.34 -4.27 26.66 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.354 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 59.6 t -102.12 130.92 51.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.886 0.343 . . . . 0.0 110.642 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 t -76.7 118.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 73.8 mt-30 -114.07 133.89 55.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.795 0.331 . . . . 0.0 110.735 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.55 HD13 HG11 ' A' ' 28' ' ' VAL . 45.4 mt -117.42 119.97 36.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.684 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.535 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 23.5 ttp180 -91.6 117.2 29.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.131 0.491 . . . . 0.0 110.102 173.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 167.17 -177.77 41.62 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.352 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.99 -58.09 0.68 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.803 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 C--O 1.247 0.933 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.227 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.956 0.408 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.52 ' HB3' HH11 ' A' ' 107' ' ' ARG . 12.3 p -144.63 89.83 2.02 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.0 0.429 . . . . 0.0 111.895 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -91.75 85.88 5.78 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 171.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.442 ' CD1' ' HB2' ' A' ' 2' ' ' SER . 95.7 m95 -84.7 102.36 12.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.018 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -79.71 125.82 30.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.915 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.09 138.49 49.79 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.445 HG13 HD11 ' A' ' 30' ' ' ILE . 50.1 mm -111.45 -72.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.424 0.631 . . . . 0.0 110.318 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.8 p -156.86 -165.05 1.76 Allowed 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -101.65 161.79 13.38 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.431 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.4 tp -65.9 -12.55 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.705 0.764 . . . . 0.0 110.031 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.46 -31.16 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.546 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.31 -37.42 77.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.498 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 mt -100.34 112.44 33.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.238 -173.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 80.2 mt -77.8 168.95 23.43 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.318 178.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.681 ' HG3' ' HB3' ' A' ' 35' ' ' HIS . 98.6 Cg_exo -50.66 133.77 39.14 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.766 2.311 . . . . 0.0 113.087 174.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.0 mp0 52.35 56.81 7.17 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.933 0.771 . . . . 0.0 111.053 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -136.34 147.15 47.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.779 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.77 137.37 10.82 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.938 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.1 m -118.76 167.06 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.665 0.269 . . . . 0.0 111.139 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -109.5 112.13 24.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.416 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.62 177.41 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.7 mt -123.66 132.61 53.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.952 0.406 . . . . 0.0 111.148 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -121.69 95.71 4.78 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.06 -120.72 10.83 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.434 -0.889 . . . . 0.0 110.943 -171.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -93.65 -22.43 18.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.022 0.439 . . . . 0.0 110.898 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.72 139.5 30.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.167 0.508 . . . . 0.0 111.343 -176.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -85.24 143.63 28.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.991 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.407 ' CG1' ' HB1' ' A' ' 41' ' ' ALA . 76.5 t -131.48 127.58 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.896 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.22 115.31 25.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.748 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.496 HD11 HD11 ' A' ' 106' ' ' LEU . 54.3 mt -97.93 116.42 40.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.62 131.63 54.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.697 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -103.19 99.96 16.14 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 171.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -85.36 -23.09 2.42 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.796 2.331 . . . . 0.0 112.5 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -117.71 130.4 56.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.681 ' HB3' ' HG3' ' A' ' 15' ' ' PRO . 2.5 p-80 -80.99 56.42 2.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.229 0.538 . . . . 0.0 111.056 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 p -135.18 -85.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.161 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.0 -35.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.685 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.82 114.74 4.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.111 -171.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.97 156.17 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.018 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -137.57 147.21 44.9 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' CG1' ' A' ' 28' ' ' VAL . . . -119.86 137.73 53.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.645 0.259 . . . . 0.0 111.326 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 93' ' ' LYS . 24.3 pt -144.36 -172.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.054 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 m -73.2 141.56 47.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.486 0.184 . . . . 0.0 111.149 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.52 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 6.1 m120 -78.1 -42.41 32.12 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.077 0.465 . . . . 0.0 110.477 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 51' ' ' SER . 25.9 mm -103.72 141.48 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.459 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.624 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -59.17 116.14 14.79 Favored Pre-proline 0 N--CA 1.466 0.36 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 170.344 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.85 -55.47 0.41 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.253 1.969 . . . . 0.0 112.078 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -91.64 -7.36 50.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.792 -174.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.624 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 85.6 t80 -114.19 -27.63 7.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -175.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 65.23 93.19 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.461 0.648 . . . . 0.0 111.189 -176.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 45' ' ' ILE . 98.1 p -126.55 -165.6 1.47 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 m -102.94 -168.68 1.55 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -68.39 124.61 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.491 0.662 . . . . 0.0 111.415 -175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 40.1 mt -74.04 -10.6 59.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.34 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 m -61.31 -22.81 65.23 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.503 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -97.18 41.28 1.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.443 0.64 . . . . 0.0 110.333 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.68 164.56 24.66 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.526 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 58' ' ' LEU . 2.3 mm? -95.46 126.78 40.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.849 0.357 . . . . 0.0 111.271 -168.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 16' ' ' GLU . 68.5 mt -78.5 123.93 36.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -136.15 -171.86 2.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.725 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -122.74 129.21 51.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.31 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -101.18 -43.9 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.589 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -152.48 60.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.155 0.503 . . . . 0.0 110.46 -178.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.62 -28.83 2.69 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.013 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -88.63 146.71 24.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.53 112.7 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.505 0.669 . . . . 0.0 110.854 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 24.9 m95 -111.13 152.17 27.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.068 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.9 p -96.47 125.82 49.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.177 0.513 . . . . 0.0 109.677 176.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -97.39 103.65 15.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.402 ' OG ' HD22 ' A' ' 54' ' ' LEU . 13.5 m -78.12 125.19 85.55 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.937 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 32.7 Cg_exo -58.66 -27.06 81.87 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.694 2.262 . . . . 0.0 111.697 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -81.61 116.73 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.015 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 75' ' ' GLN . 1.8 tmmt? 71.03 -6.81 1.22 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.246 0.619 . . . . 0.0 111.913 175.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm 64.98 28.66 12.5 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.044 0.45 . . . . 0.0 111.354 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 73' ' ' LYS . 11.7 pt20 -71.55 154.48 41.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.122 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -126.92 120.94 30.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.796 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.455 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 64.0 m-85 -118.05 130.97 56.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.253 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -91.14 97.24 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 79' ' ' LEU . 1.2 pp -65.28 -14.47 60.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.582 -173.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m -66.65 -46.88 74.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.534 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -117.54 -29.96 5.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.582 0.23 . . . . 0.0 111.117 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.0 -1.56 19.54 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.527 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.99 135.82 52.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 0.0 111.024 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 16.7 m -110.67 137.39 48.4 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 19.0 ttt -75.57 -62.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.77 0.319 . . . . 0.0 111.721 -172.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -84.87 -32.25 23.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.601 0.715 . . . . 0.0 109.82 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.452 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 1.0 OUTLIER -83.29 10.23 8.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.923 -178.462 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -42.65 -31.31 0.44 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.095 1.358 . . . . 0.0 113.408 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -53.71 -37.14 62.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.193 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -149.56 69.42 1.04 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 110.151 -176.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.695 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 59.9 m -52.0 157.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.444 174.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.7 m -90.3 167.74 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -169.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 52.6 mtpt -76.01 117.0 17.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.64 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -97.1 115.04 26.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.082 0.468 . . . . 0.0 110.296 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -99.64 152.63 19.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.522 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.67 131.5 37.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.724 0.297 . . . . 0.0 110.601 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.8 141.53 50.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.305 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -149.78 159.43 44.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.707 0.289 . . . . 0.0 110.42 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.62 111.41 32.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.658 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' HG2' ' OD1' ' A' ' 101' ' ' ASP . 49.8 tttm -110.87 113.54 26.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.275 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.415 ' OD1' ' HG2' ' A' ' 100' ' ' LYS . 3.7 m-20 62.8 17.96 10.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.126 0.488 . . . . 0.0 110.218 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.53 -1.19 58.43 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.418 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.9 t -108.59 128.21 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.614 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.83 127.6 37.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.409 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -119.48 153.52 35.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.469 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 30' ' ' ILE . 88.8 mt -124.7 133.07 53.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.013 178.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.52 HH11 ' HB3' ' A' ' 2' ' ' SER . 49.1 ttp180 -117.14 104.69 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 170.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.41 112.83 1.97 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.219 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -87.99 88.47 1.56 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.615 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.466 -178.679 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 pmm? . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.476 0.179 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m 74.6 -69.82 0.17 Allowed 'General case' 0 C--O 1.232 0.16 0 O-C-N 123.99 0.806 . . . . 0.0 111.468 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 50.32 63.95 2.0 Allowed 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.668 0.605 . . . . 0.0 111.268 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -63.4 94.14 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.186 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -82.8 124.55 30.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.889 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -72.35 115.05 11.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.593 175.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.0 mm -88.94 -75.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.267 0.556 . . . . 0.0 110.714 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.7 m -150.06 -172.57 4.2 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 22.7 mtpt -92.02 157.73 16.62 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.928 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.494 HD11 ' HD2' ' A' ' 32' ' ' ARG . 11.0 tp -69.74 -15.19 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.327 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -65.45 -25.17 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.511 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -87.78 -10.12 51.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.239 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -117.32 113.86 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 90.6 mt -86.11 162.0 47.79 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.641 0.257 . . . . 0.0 111.132 -175.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 19.5 Cg_endo -60.08 122.91 12.12 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 122.428 2.085 . . . . 0.0 111.974 175.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 59' ' ' ILE . 69.4 mt-10 76.94 31.72 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.309 1.044 . . . . 0.0 111.895 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.3 p -130.55 161.12 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.704 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -136.48 139.7 10.87 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.616 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -120.59 160.99 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 m -93.85 109.3 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.552 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.82 27.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.048 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.1 104.97 14.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.074 0.464 . . . . 0.0 111.015 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.3 tp -91.07 95.03 9.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 175.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.72 -95.42 0.9 Allowed Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -169.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.53 -4.97 4.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.333 0.587 . . . . 0.0 110.117 169.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -80.49 132.66 35.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.016 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.36 115.88 25.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.687 0.756 . . . . 0.0 111.487 -176.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.7 t -107.47 132.76 54.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.698 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.53 109.96 21.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.705 0.288 . . . . 0.0 110.342 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.51 HD11 HD11 ' A' ' 106' ' ' LEU . 61.3 mt -96.82 108.95 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.961 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.455 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 94.2 m-85 -102.79 123.9 47.31 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HD2' HD11 ' A' ' 10' ' ' ILE . 77.0 ttt180 -101.54 99.94 12.77 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 169.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 87.0 Cg_endo -93.11 -19.08 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.726 2.284 . . . . 0.0 112.827 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -102.22 165.84 10.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.062 0.458 . . . . 0.0 110.769 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -79.66 -26.89 40.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 m -83.14 -162.43 0.61 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.305 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -80.99 13.41 2.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.095 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -85.57 103.77 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.034 0.445 . . . . 0.0 110.96 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.23 152.61 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.31 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.91 129.99 39.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.293 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 95' ' ' TYR . . . -111.43 130.17 55.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.041 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 pt -137.74 -172.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.232 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.494 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 35.3 t -68.65 149.58 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.61 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 64.9 t30 -95.54 -11.58 27.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -176.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 51' ' ' SER . 48.5 mm -119.65 142.68 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 4.5 m-20 -73.09 152.76 90.67 Favored Pre-proline 0 N--CA 1.472 0.629 0 CA-C-O 120.661 0.267 . . . . 0.0 110.997 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 6.0 Cg_exo -79.09 -79.44 0.0 OUTLIER 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 123.298 2.665 . . . . 0.0 113.487 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 90' ' ' PHE . 18.9 m-85 -81.16 -38.36 27.27 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.034 0.445 . . . . 0.0 110.322 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.532 ' CZ ' ' HE2' ' A' ' 73' ' ' LYS . 13.9 t80 -65.53 -31.88 73.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.282 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 43.25 75.18 0.1 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.323 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 45' ' ' ILE . 1.9 t -119.78 -165.61 1.19 Allowed 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 173.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -88.28 -153.65 0.25 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.228 0.537 . . . . 0.0 111.292 -173.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 44' ' ' ASN . 19.1 m -68.04 134.27 30.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.273 -171.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.4 mt -80.06 -11.7 59.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.216 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -59.29 -28.08 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.297 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -91.46 40.41 1.03 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.041 0.448 . . . . 0.0 110.09 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.48 164.74 24.59 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.747 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.4 pt? -102.43 162.28 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.037 0.446 . . . . 0.0 110.783 -176.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 16' ' ' GLU . 72.9 mt -114.56 133.57 60.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.619 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.03 151.27 50.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.4 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -95.88 130.35 42.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.126 0.489 . . . . 0.0 111.694 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -77.47 -59.97 2.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.01 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 178.33 92.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.99 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.97 3.25 84.28 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -173.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -129.41 124.29 33.79 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 91.2 mt -95.59 113.09 24.71 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.253 0.549 . . . . 0.0 109.914 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -102.81 148.53 25.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.689 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 14.8 p -99.4 137.87 25.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -122.87 114.47 20.52 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.946 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.0 m -78.19 115.59 52.11 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.506 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.35 23.1 0.55 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.921 2.414 . . . . 0.0 112.369 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 mt -80.87 -59.56 2.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.778 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.532 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 30.8 mtmm -134.68 -76.65 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.537 171.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 13.5 ptmm? -174.4 97.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.178 0.513 . . . . 0.0 111.326 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.6 pm0 -150.26 145.97 26.52 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.36 122.34 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -171.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 65.7 m-85 -113.41 128.93 56.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.994 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -80.57 101.44 9.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.84 -23.27 42.86 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -173.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.3 t -61.26 -17.28 52.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.381 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 33.0 t70 -143.84 -38.33 0.31 Allowed 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 120.63 0.252 . . . . 0.0 111.441 177.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.63 -1.37 24.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.2 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 tt -76.54 138.52 40.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.09 0.471 . . . . 0.0 110.949 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.505 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 53.8 t -98.93 154.75 17.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.34 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 52.9 ttm -81.9 -41.27 21.16 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.026 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -92.53 -26.93 17.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.981 0.419 . . . . 0.0 111.029 -176.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 9.6 m-20 -96.21 10.7 36.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.656 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 36.3 tt0 -34.03 -63.67 0.26 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -167.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -61.24 -27.33 68.37 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -171.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.514 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 61.5 t80 -133.74 67.08 1.53 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.525 0.679 . . . . 0.0 109.254 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.424 ' HB3' ' H ' ' A' ' 84' ' ' CYS . 0.3 OUTLIER -80.89 -168.57 1.83 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.192 179.482 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.494 ' HB ' ' HB3' ' A' ' 43' ' ' SER . 32.9 m -92.31 163.42 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.142 0.496 . . . . 0.0 111.963 -172.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.57 122.28 23.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.516 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 9.8 t-160 -85.88 119.43 26.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.603 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.408 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 80.4 m-85 -92.79 141.57 28.3 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 1.8 mp0 -79.79 107.65 12.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.913 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.45 152.68 32.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.447 -175.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -150.32 153.08 35.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.411 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.9 t -97.76 102.32 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.303 0.573 . . . . 0.0 109.776 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -92.52 96.33 10.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.269 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 60.65 19.38 9.36 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.257 0.348 . . . . 0.0 111.427 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.51 -9.26 28.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.513 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.65 129.51 52.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.536 0.208 . . . . 0.0 110.466 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.47 120.62 33.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -112.76 140.06 47.86 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.284 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 30' ' ' ILE . 65.2 mt -115.18 130.58 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.878 0.371 . . . . 0.0 111.183 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.461 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 10.8 ttp180 -111.42 117.67 33.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 171.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -165.0 157.42 29.87 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.134 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.92 -78.09 1.01 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.923 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.528 -0.749 . . . . 0.0 110.174 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.636 ' O ' ' HG3' ' A' ' 107' ' ' ARG . 61.6 m -147.46 -53.41 0.21 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 173.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 5.9 tp60 59.53 79.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.768 -174.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.426 ' CE2' ' HD3' ' A' ' 107' ' ' ARG . 96.2 m95 -91.7 90.49 7.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.925 172.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -95.19 131.3 41.39 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.832 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.456 ' HA ' ' HG2' ' A' ' 105' ' ' GLN . 7.0 p-10 -72.07 138.12 47.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.878 175.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.467 HG21 ' HB1' ' A' ' 21' ' ' ALA . 30.5 mm -102.24 -67.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.615 0.721 . . . . 0.0 109.445 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.0 p -155.43 174.74 14.82 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.47 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 9.8 mtmp? -73.74 154.23 39.69 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.653 HD12 HG21 ' A' ' 99' ' ' VAL . 19.3 tt -72.33 -11.88 15.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.918 0.865 . . . . 0.0 109.145 175.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.41 -28.39 67.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.565 174.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.459 ' OD1' ' HB2' ' A' ' 9' ' ' LYS . 4.6 m-20 -77.3 -29.77 53.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.884 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mt -105.37 103.81 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.386 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.35 156.57 91.68 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.442 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HB3' ' HA ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -60.36 146.58 96.35 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.329 2.019 . . . . 0.0 111.706 175.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 15' ' ' PRO . 25.5 mm-40 67.29 29.84 7.38 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.656 0.597 . . . . 0.0 110.628 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -130.59 144.21 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.83 133.01 7.44 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -128.7 171.44 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.783 0.325 . . . . 0.0 111.153 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -97.93 130.22 44.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.723 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB1' HG21 ' A' ' 7' ' ' ILE . . . -127.62 167.94 15.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.35 120.38 26.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.315 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD13 ' HB2' ' A' ' 106' ' ' LEU . 52.3 tp -96.69 85.84 3.94 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.16 -88.01 1.09 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -129.5 -4.65 4.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.384 0.611 . . . . 0.0 110.115 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -82.02 141.04 33.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.643 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -88.07 122.72 31.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.932 0.396 . . . . 0.0 110.539 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.436 HG11 HD13 ' A' ' 106' ' ' LEU . 44.2 t -129.37 139.38 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.412 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.79 116.9 33.74 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 106' ' ' LEU . 58.1 mt -103.28 122.83 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.05 0.452 . . . . 0.0 110.553 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 81.0 m-85 -115.87 129.45 56.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.16 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -111.7 99.9 46.46 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HB3' HG21 ' A' ' 59' ' ' ILE . 1.2 Cg_endo -83.14 -37.78 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.047 2.498 . . . . 0.0 112.335 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -90.34 160.29 16.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.224 0.535 . . . . 0.0 111.107 -175.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 11.5 m170 -76.45 -15.99 59.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.826 174.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 p -87.2 -163.24 0.89 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.203 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.446 ' HB2' ' HB ' ' A' ' 99' ' ' VAL . 7.7 p-10 -85.57 11.46 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.474 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -83.55 97.68 9.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.078 0.466 . . . . 0.0 110.965 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -115.37 155.31 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.298 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -127.5 141.53 51.63 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.65 130.22 37.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.893 0.378 . . . . 0.0 111.387 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.6 pt -138.65 172.35 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.94 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.643 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 20.0 p -64.83 136.48 56.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -84.06 -6.72 59.46 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -171.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 51' ' ' SER . 67.6 mt -109.84 123.11 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.593 0.235 . . . . 0.0 111.084 -176.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.844 ' HB2' ' H ' ' A' ' 50' ' ' GLU . 1.3 m-20 -61.83 132.93 93.55 Favored Pre-proline 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 177.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD3' HG12 ' A' ' 92' ' ' VAL . 2.8 Cg_endo -82.26 -13.66 9.89 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.282 1.988 . . . . 0.0 110.324 168.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.847 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 87.4 t80 -89.24 -55.32 3.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.289 -177.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -111.08 -22.11 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.085 -175.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.844 ' H ' ' HB2' ' A' ' 46' ' ' ASP . 39.1 mt-10 69.06 73.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.155 0.582 . . . . 0.0 112.211 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.469 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 48.4 t -109.09 161.68 14.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 171.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 p -87.3 -30.72 20.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 0.0 111.698 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.4 m -128.64 124.54 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.478 0.656 . . . . 0.0 111.829 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.8 mt -92.31 -7.62 47.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.932 170.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.451 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 6.0 m -74.83 0.84 14.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.482 -174.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -104.23 40.55 1.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.613 0.72 . . . . 0.0 109.725 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.88 164.58 24.72 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.958 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -96.41 139.59 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.737 0.303 . . . . 0.0 110.36 -177.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.537 HG21 ' HB3' ' A' ' 33' ' ' PRO . 61.2 mt -92.38 120.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.084 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.47 164.97 25.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.484 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -101.12 127.82 47.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.957 0.408 . . . . 0.0 111.106 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 11.6 t-160 -76.61 -49.95 15.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.386 175.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 47.5 tp60 174.57 78.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.226 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.5 -31.24 4.59 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.46 -171.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -88.63 145.07 25.89 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 122.411 0.285 . . . . 0.0 110.63 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.97 119.23 38.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.179 0.514 . . . . 0.0 110.335 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.604 ' HZ3' ' HB2' ' A' ' 85' ' ' MET . 31.6 m95 -116.8 140.41 49.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.007 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.67 124.64 49.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.04 107.49 15.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.409 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.529 ' HB3' HD13 ' A' ' 72' ' ' LEU . 38.5 m -84.3 119.58 73.35 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.56 3.21 3.3 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.728 2.286 . . . . 0.0 112.46 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 70' ' ' SER . 7.4 mp -64.59 -72.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.863 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 26.8 mmtp -129.94 25.98 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 111.262 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.0 tptm 71.64 25.43 3.3 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.014 168.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.406 ' HG2' ' HB2' ' A' ' 70' ' ' SER . 1.4 pm0 -74.54 139.42 43.77 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.764 0.316 . . . . 0.0 110.356 177.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -127.03 132.37 50.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.744 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.404 ' HE1' ' HG3' ' A' ' 75' ' ' GLN . 79.2 m-85 -129.66 135.08 48.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.71 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -84.1 112.9 20.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.42 -26.3 68.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -170.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.7 m -68.74 -49.45 58.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -114.22 -17.39 11.87 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.05 14.52 51.56 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.416 HD12 ' OG ' ' A' ' 91' ' ' SER . 30.1 tp -72.16 134.83 45.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.828 0.347 . . . . 0.0 110.774 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.7 t -99.86 136.36 39.89 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 173.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.604 ' HB2' ' HZ3' ' A' ' 67' ' ' TRP . 16.5 ttt -67.74 -34.99 77.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.121 0.486 . . . . 0.0 110.352 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -87.89 -47.67 8.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.564 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.847 ' HB2' ' HB2' ' A' ' 48' ' ' PHE . 24.1 t70 -89.58 10.95 21.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.798 -174.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -37.62 -26.18 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -49.34 -38.59 28.52 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 122.825 0.45 . . . . 0.0 112.14 172.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -134.27 -52.75 0.83 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.137 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.416 ' OG ' HD12 ' A' ' 83' ' ' LEU . 48.7 m 72.04 -179.45 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.379 0.671 . . . . 0.0 111.893 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.643 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 31.6 m -92.12 -178.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.166 0.508 . . . . 0.0 111.854 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -97.99 119.84 37.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.866 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -90.95 134.81 34.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.74 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.417 ' CD2' ' HA3' ' A' ' 108' ' ' GLY . 76.8 m-85 -107.32 145.45 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.872 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -82.72 119.21 24.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.38 136.41 52.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.561 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -135.83 144.99 45.98 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.653 HG21 HD12 ' A' ' 10' ' ' ILE . 59.3 t -98.16 102.26 13.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -97.44 108.95 21.78 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.403 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.5 t70 62.74 25.22 14.99 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.535 0.683 . . . . 0.0 110.619 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.83 2.89 64.5 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.82 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 62.4 t -113.18 128.63 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.866 0.333 . . . . 0.0 110.37 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 t -75.09 119.92 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 6' ' ' ASP . 89.7 mt-30 -117.89 143.09 46.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.536 176.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.674 ' HB2' HD13 ' A' ' 23' ' ' LEU . 69.5 mt -120.04 139.12 53.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 2' ' ' SER . 8.4 ttp180 -115.69 115.64 26.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 172.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.417 ' HA3' ' CD2' ' A' ' 95' ' ' TYR . . . 176.2 87.29 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.135 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -112.68 -19.83 6.78 Favored Glycine 0 C--N 1.319 -0.391 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.174 177.812 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 121.017 0.437 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.499 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 5.3 p -166.88 101.72 0.55 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.054 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 0.4 OUTLIER -119.74 90.96 3.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.518 0.675 . . . . 0.0 109.715 172.671 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.504 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 97.7 m95 -80.57 92.73 5.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.986 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.74 116.8 17.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.399 -177.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.41 112.39 2.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.642 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.491 HD12 ' HB1' ' A' ' 21' ' ' ALA . 40.5 mm -87.36 -70.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.192 0.52 . . . . 0.0 110.118 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 p -157.14 177.87 10.99 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HG2' HG22 ' A' ' 103' ' ' VAL . 47.0 mtpt -87.9 161.03 17.7 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.079 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.97 -10.58 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 121.461 0.648 . . . . 0.0 110.71 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.42 -21.85 60.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.104 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -85.3 -44.97 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.915 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.673 HD12 HG21 ' A' ' 104' ' ' VAL . 41.5 mt -94.79 101.32 12.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.725 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.875 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -85.65 171.92 9.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.727 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.564 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 55.9 Cg_exo -53.17 138.46 63.37 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.653 2.235 . . . . 0.0 112.468 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 59' ' ' ILE . 73.9 mt-10 51.24 62.17 2.85 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.967 -175.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.663 ' OG1' ' HG ' ' A' ' 14' ' ' LEU . 24.2 m -144.86 136.13 25.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.12 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -125.02 132.85 8.25 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.782 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 m -117.91 169.7 8.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.837 0.351 . . . . 0.0 110.758 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -104.34 128.95 52.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.659 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB1' HD12 ' A' ' 7' ' ' ILE . . . -127.53 143.76 51.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.718 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.59 108.14 19.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.6 tp -93.86 91.88 7.15 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.92 -90.09 0.49 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 -174.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -129.59 0.67 4.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.237 0.541 . . . . 0.0 109.938 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -95.59 128.13 42.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.958 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -77.89 123.3 26.6 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.467 HG11 HD11 ' A' ' 106' ' ' LEU . 44.1 t -123.13 138.17 54.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.037 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' HB2' ' OD1' ' A' ' 44' ' ' ASN . . . -101.2 118.79 37.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.444 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CD1' HG13 ' A' ' 7' ' ' ILE . 61.2 mt -103.01 114.46 42.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.016 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.456 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 96.4 m-85 -112.13 130.59 55.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.472 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.53 ' HB2' HG12 ' A' ' 39' ' ' VAL . 79.5 ttt180 -101.93 99.98 13.6 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 170.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HB2' HD13 ' A' ' 66' ' ' LEU . 63.0 Cg_endo -95.06 -3.5 2.3 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.978 2.452 . . . . 0.0 112.853 -178.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -107.17 154.36 21.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.54 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -73.81 -22.57 59.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 p -85.09 -163.83 0.9 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.708 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -85.31 14.68 5.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.502 0.321 . . . . 0.0 111.464 -174.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -83.82 110.71 18.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.108 0.48 . . . . 0.0 111.179 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 32' ' ' ARG . 31.5 m -119.48 152.99 22.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.411 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -132.25 145.04 51.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.741 0.305 . . . . 0.0 110.322 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.27 136.13 55.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.951 0.405 . . . . 0.0 111.028 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.4 pt -134.88 162.64 38.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.524 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.539 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 18.8 t -57.89 134.15 56.07 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' OD1' ' HB2' ' A' ' 29' ' ' ALA . 59.0 t30 -93.59 11.59 28.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.564 -173.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 52' ' ' SER . 39.6 mm -127.68 136.69 59.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.228 176.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' OD2' ' HB3' ' A' ' 51' ' ' SER . 3.8 m-20 -74.85 129.18 83.9 Favored Pre-proline 0 N--CA 1.468 0.47 0 CA-C-N 117.795 0.271 . . . . 0.0 110.566 175.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.72 -54.55 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.521 2.147 . . . . 0.0 113.762 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -88.41 -41.51 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.004 0.431 . . . . 0.0 110.289 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -71.93 -26.77 62.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.303 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 61.5 79.54 0.25 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.824 0.821 . . . . 0.0 110.585 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.537 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 41.0 t -137.38 163.05 31.96 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.846 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.451 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 40.6 m -93.1 -140.48 0.21 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.638 0.256 . . . . 0.0 111.284 -175.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.3 m -67.71 129.31 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.986 0.898 . . . . 0.0 113.299 -167.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.2 mt -92.46 -7.46 47.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.475 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m -65.6 0.96 1.38 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -172.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.606 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 3.5 tpm_? -110.9 40.72 1.96 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.1 0.476 . . . . 0.0 110.373 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.32 164.82 24.53 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.034 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.739 HD23 ' H ' ' A' ' 58' ' ' LEU . 1.6 pt? -91.37 162.68 14.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.971 -175.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 16' ' ' GLU . 69.1 mt -109.69 126.76 66.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.02 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.87 119.02 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.051 0.453 . . . . 0.0 111.234 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.63 125.42 30.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.793 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.418 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 33.5 m170 -79.24 -84.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.623 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -114.28 -16.37 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.463 0.649 . . . . 0.0 109.955 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.52 -25.94 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.584 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' OE1' ' HB2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -88.54 145.49 25.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.174 0.511 . . . . 0.0 109.948 176.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 33' ' ' PRO . 28.1 mt -100.08 116.1 31.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.701 -174.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 48.5 m95 -112.93 140.18 47.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.449 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.3 p -100.82 133.69 43.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 172.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.5 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -110.75 115.61 29.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.263 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.722 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . 20.2 m -89.83 120.57 69.4 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.89 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.6 -4.23 8.0 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.223 2.615 . . . . 0.0 112.724 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.74 -51.37 69.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.854 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HB3' ' HE3' ' A' ' 73' ' ' LYS . 23.3 mmmt -141.47 20.69 2.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 -176.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 62.12 36.27 15.28 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -171.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.722 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 63.7 tt0 -73.96 144.27 45.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.415 -1.721 . . . . 0.0 110.881 -170.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -128.68 121.65 29.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.986 0.422 . . . . 0.0 111.906 -172.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.498 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 96.6 m-85 -119.0 132.33 56.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.862 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.516 ' HE ' ' HB3' ' A' ' 81' ' ' ASP . 52.8 ttp180 -85.88 90.16 7.99 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 68' ' ' VAL . 2.9 pp -64.31 -15.6 60.58 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -170.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.9 m -70.2 -19.01 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.828 0.347 . . . . 0.0 110.779 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.516 ' HB3' ' HE ' ' A' ' 78' ' ' ARG . 8.0 t70 -130.7 -46.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.779 -173.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.79 -13.63 9.87 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.657 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.409 HD11 ' HG3' ' A' ' 88' ' ' GLU . 19.6 tp -57.45 134.57 56.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.046 0.45 . . . . 0.0 111.484 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.514 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 43.6 t -106.72 146.52 30.71 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 171.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.0 ttt -77.73 -39.25 45.06 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.192 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' A' ' 75' ' ' GLN . 2.1 pm0 -91.47 -39.71 11.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.63 0.252 . . . . 0.0 111.507 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.514 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 11.3 t70 -82.42 10.51 7.0 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.386 0.612 . . . . 0.0 109.595 177.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' HG3' HD11 ' A' ' 83' ' ' LEU . 38.8 tt0 -34.89 -32.57 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.053 1.341 . . . . 0.0 114.143 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -57.84 -39.24 77.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.616 0.246 . . . . 0.0 111.64 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -118.81 -54.75 2.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.156 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.5 m 71.9 167.3 0.31 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.796 0.685 . . . . 0.0 110.909 -175.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 43' ' ' SER . 27.7 m -90.63 145.96 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.404 0.621 . . . . 0.0 111.606 -173.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -64.48 122.66 17.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.23 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -84.8 142.55 29.7 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.452 ' HD1' ' CA ' ' A' ' 108' ' ' GLY . 90.7 m-85 -121.3 163.11 19.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.728 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -99.08 117.55 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.53 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.26 147.06 46.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.829 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -149.2 163.95 36.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.491 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.74 111.03 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -116.39 116.78 28.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.657 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.0 t70 65.19 13.54 8.81 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.868 0.842 . . . . 0.0 110.055 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.84 10.04 58.0 Favored Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.886 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.516 HG22 ' HG2' ' A' ' 9' ' ' LYS . 92.1 t -111.77 129.99 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.673 HG21 HD12 ' A' ' 13' ' ' ILE . 24.7 t -76.39 114.41 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.504 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 70.1 mt-30 -108.51 144.06 36.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.467 HD11 HG11 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -121.97 119.49 31.63 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.548 -177.169 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.499 ' HD2' ' HA ' ' A' ' 2' ' ' SER . 38.0 ttp85 -111.5 119.77 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.452 ' CA ' ' HD1' ' A' ' 95' ' ' TYR . . . -122.81 132.03 8.5 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.083 -1.056 . . . . 0.0 112.613 -178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.23 55.78 4.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.312 177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.352 -0.833 . . . . 0.0 109.622 -178.547 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.96 0.409 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -107.57 68.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 110.969 178.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -73.55 85.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.599 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 96.6 m95 -86.61 98.25 10.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -76.3 129.36 36.54 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.223 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.77 98.46 5.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.438 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 mm -78.77 -81.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.928 0.394 . . . . 0.0 111.088 -174.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.9 p -152.41 169.11 23.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.53 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 48.5 mtmt -76.46 147.61 37.78 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.541 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.421 HD11 ' HD2' ' A' ' 32' ' ' ARG . 10.9 tp -63.07 -18.14 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.521 0.677 . . . . 0.0 110.06 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.75 -29.59 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.837 177.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.36 -52.79 9.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 111.408 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -75.41 110.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.048 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.9 mt -73.9 157.76 86.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.789 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.545 ' HB3' ' HA ' ' A' ' 35' ' ' HIS . 13.6 Cg_endo -56.18 136.15 73.69 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.794 2.329 . . . . 0.0 111.664 175.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 63.74 44.49 4.98 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.739 0.649 . . . . 0.0 111.361 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 m -135.98 133.63 37.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.63 134.6 11.22 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 173.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.2 164.1 28.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 111.876 -173.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.0 m -93.52 123.06 36.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.468 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.48 144.58 51.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.046 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.0 mt -102.98 113.65 27.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.006 0.432 . . . . 0.0 110.807 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 tp -94.31 83.21 4.17 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.29 -96.45 0.63 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.506 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.79 -5.71 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -100.35 139.23 36.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.599 -174.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -89.49 110.7 21.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.688 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.405 HG11 HD13 ' A' ' 106' ' ' LEU . 42.3 t -109.56 136.32 45.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.963 0.411 . . . . 0.0 110.75 -176.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.33 108.21 19.5 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.777 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.523 HD11 HD11 ' A' ' 106' ' ' LEU . 60.5 mt -87.62 108.79 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.743 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -102.8 123.39 46.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.777 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HD2' HD11 ' A' ' 10' ' ' ILE . 78.0 ttt180 -104.69 100.27 22.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 74.8 Cg_endo -84.74 -38.33 0.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.619 2.213 . . . . 0.0 113.135 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -93.87 165.6 12.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 41.4 t-80 -79.84 -21.15 44.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.994 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.9 m -84.67 -171.55 3.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.815 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.548 ' HB2' HG21 ' A' ' 99' ' ' VAL . 4.3 p-10 -78.96 68.37 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.847 0.832 . . . . 0.0 111.228 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.473 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 28.8 mm-40 -126.8 107.89 10.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.845 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.8 m -122.25 139.56 48.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.32 132.42 48.63 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.5 128.07 51.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.223 0.535 . . . . 0.0 111.839 -173.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 pt -128.28 176.85 6.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.644 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.1 t -64.23 126.45 27.79 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -73.18 -27.04 61.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.405 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.3 mm -109.58 129.74 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.609 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.3 OUTLIER -89.56 118.32 68.94 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.23 176.643 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -94.5 -0.9 2.83 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.001 2.467 . . . . 0.0 113.741 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -91.48 -57.54 2.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.135 0.493 . . . . 0.0 109.761 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 68.0 t80 -91.95 -5.66 52.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 61.83 74.92 0.43 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.766 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.609 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 10.0 m -117.23 153.02 33.61 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.706 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.467 ' HB2' ' H ' ' A' ' 53' ' ' VAL . 2.8 p -79.0 -145.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.933 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' H ' ' HB2' ' A' ' 52' ' ' SER . 29.0 m -68.15 127.01 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.427 0.632 . . . . 0.0 111.782 -174.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.56 -6.88 58.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.692 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 p -64.34 -22.26 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.436 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 2.0 ptm180 -86.11 40.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.917 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.57 164.73 24.62 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.75 -173.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 pp -96.25 145.14 25.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.976 0.417 . . . . 0.0 111.187 -173.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.56 131.46 60.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.188 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.6 161.43 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.436 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -125.75 136.22 52.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -95.98 -53.81 3.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.092 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -161.19 73.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.06 -27.18 3.13 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.043 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CD ' ' HD2' ' A' ' 78' ' ' ARG . 7.9 tp10 -88.58 135.67 33.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.56 130.21 49.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.392 -172.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.41 ' CZ3' ' HG2' ' A' ' 85' ' ' MET . 89.4 m95 -127.36 135.15 50.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.37 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.547 ' HB ' HD23 ' A' ' 79' ' ' LEU . 7.4 p -111.9 128.0 68.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.031 0.443 . . . . 0.0 110.063 176.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.17 114.69 29.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.22 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.768 ' HB3' HD13 ' A' ' 72' ' ' LEU . 16.9 m -89.77 116.43 66.33 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.702 -177.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.0 Cg_exo -74.2 23.52 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.715 2.943 . . . . 0.0 112.295 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' A' ' 70' ' ' SER . 6.8 mp -83.2 -18.05 40.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.602 0.715 . . . . 0.0 109.135 176.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 74' ' ' LYS . 14.3 tppt? -160.38 -83.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.753 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 73' ' ' LYS . 15.2 tptp -174.99 21.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 175.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -85.5 142.51 29.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.991 -170.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -124.58 134.87 52.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.424 0.631 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -118.95 145.09 46.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.18 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.563 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 19.1 ttp180 -93.72 90.11 6.45 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.547 HD23 ' HB ' ' A' ' 68' ' ' VAL . 2.2 pp -66.36 -13.38 60.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -170.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.411 ' OG ' ' HG2' ' A' ' 78' ' ' ARG . 8.7 p -64.39 -49.03 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.853 0.358 . . . . 0.0 111.02 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -119.77 4.31 11.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.956 0.408 . . . . 0.0 111.232 -178.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.75 38.29 24.19 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.906 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 78' ' ' ARG . 16.6 tp -98.28 145.66 26.43 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 51.9 m -103.68 143.86 32.21 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.41 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 58.9 mtp -64.58 -54.99 23.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.928 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.92 -41.29 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.383 0.611 . . . . 0.0 110.697 -177.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 84' ' ' CYS . 0.7 OUTLIER -82.14 10.4 6.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.975 -176.13 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.515 ' HG3' HD11 ' A' ' 83' ' ' LEU . 34.9 tt0 -33.73 -50.51 0.36 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.544 1.538 . . . . 0.0 114.526 -171.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -60.15 -26.64 66.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -113.71 -59.12 2.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.731 0.3 . . . . 0.0 110.272 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.567 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 64.9 m 63.05 179.76 0.15 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.292 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 m -94.54 178.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.558 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -77.95 126.06 30.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.909 0.385 . . . . 0.0 111.082 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -89.53 127.08 35.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.898 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -102.61 138.07 40.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -88.6 117.27 27.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.017 0.437 . . . . 0.0 110.16 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.54 156.78 27.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.239 -175.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -152.98 157.41 40.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.567 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 37' ' ' ASP . 46.2 t -99.9 103.84 15.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.193 0.52 . . . . 0.0 109.992 175.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -91.43 94.14 9.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.424 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 t70 60.31 24.22 13.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.262 174.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.8 4.62 34.01 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.152 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.578 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 33.4 t -118.26 141.51 37.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.984 0.392 . . . . 0.0 110.332 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 t -82.95 115.62 25.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.779 0.323 . . . . 0.0 110.773 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 10.5 mm100 -105.21 138.58 41.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.859 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.523 HD11 HD11 ' A' ' 30' ' ' ILE . 90.9 mt -121.81 123.58 42.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.894 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 107' ' ' ARG . 42.4 ttp85 -110.52 105.49 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.221 0.534 . . . . 0.0 109.566 171.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.62 -110.69 1.7 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.469 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -125.57 147.13 16.5 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.172 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.542 177.298 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.563 ' HA ' ' HG3' ' A' ' 107' ' ' ARG . 4.0 p -80.22 39.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -85.15 76.79 10.16 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 75.3 m95 -61.63 103.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.981 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' HB3' ' HE2' ' A' ' 5' ' ' LYS . 47.2 mtpt -72.6 134.54 45.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.393 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -82.03 107.12 14.48 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.8 mm -87.12 -73.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.1 0.476 . . . . 0.0 110.939 -176.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 t -161.26 168.87 23.25 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 54.4 mmtt -69.06 148.79 49.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.502 HD11 ' HD2' ' A' ' 32' ' ' ARG . 10.7 tp -69.69 -13.85 17.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.66 0.743 . . . . 0.0 109.942 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.67 -27.14 67.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.865 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.78 -40.94 46.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.743 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.511 HD12 HG21 ' A' ' 104' ' ' VAL . 41.1 mt -90.48 109.37 20.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.36 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 83.1 mt -79.22 166.72 39.94 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 16.0 Cg_endo -59.48 144.58 99.38 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.306 2.004 . . . . 0.0 111.972 174.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 59' ' ' ILE . 43.0 mt-10 62.36 28.26 16.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.307 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 m -121.34 136.74 54.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.918 0.39 . . . . 0.0 111.284 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -121.28 143.04 15.83 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.28 157.5 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.845 0.322 . . . . 0.0 110.724 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -97.07 131.51 43.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.901 0.382 . . . . 0.0 110.858 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.33 178.34 7.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.654 176.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.31 138.44 54.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.917 0.389 . . . . 0.0 111.036 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD12 ' HB3' ' A' ' 106' ' ' LEU . 4.9 tt -141.03 101.4 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.62 -103.18 2.51 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -177.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -129.49 1.44 5.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.071 0.462 . . . . 0.0 110.084 174.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -103.09 144.75 30.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.823 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.424 ' H ' ' CD ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -86.24 124.6 32.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.852 176.182 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -109.05 133.32 54.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.427 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.02 114.46 27.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.851 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.523 HD11 HD11 ' A' ' 106' ' ' LEU . 46.2 mt -94.55 111.52 25.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.07 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.432 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 97.5 m-85 -108.37 125.5 51.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 -178.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.502 ' HD2' HD11 ' A' ' 10' ' ' ILE . 76.1 ttt180 -101.16 100.13 12.54 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.476 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 87.1 Cg_endo -86.7 -38.71 0.08 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.589 2.193 . . . . 0.0 113.005 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.417 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 96.6 m-85 -90.1 164.32 14.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.764 0.316 . . . . 0.0 110.423 -178.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 2.1 t60 -79.71 -9.54 59.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.196 0.522 . . . . 0.0 110.284 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -100.57 -155.7 0.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.15 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -82.15 0.75 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.72 0.408 . . . . 0.0 111.822 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.476 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 46.2 mt-30 -70.57 106.07 3.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.847 0.356 . . . . 0.0 110.739 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 m -126.83 154.44 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.873 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -140.47 149.55 42.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.43 140.78 47.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.942 0.401 . . . . 0.0 111.244 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.2 pt -139.98 173.4 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.66 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.61 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 13.9 p -64.35 134.18 54.11 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.551 HD21 HG12 ' A' ' 53' ' ' VAL . 66.7 t30 -80.62 6.15 13.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.634 -172.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.1 129.86 61.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.663 ' HB2' HD21 ' A' ' 54' ' ' LEU . 5.1 t70 -92.08 114.46 62.2 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 169.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.55 -1.57 9.67 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.475 2.117 . . . . 0.0 113.862 -174.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -91.51 -58.47 2.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.967 0.413 . . . . 0.0 110.349 -178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -96.01 -5.24 41.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.094 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 65.97 54.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.485 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 46' ' ' ASP . 13.1 p -102.53 129.77 49.17 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -12.27 60.02 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.551 HG12 HD21 ' A' ' 44' ' ' ASN . 13.7 m -128.69 123.94 60.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.235 -0.586 . . . . 0.0 112.171 175.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 46' ' ' ASP . 74.6 mt -92.64 -18.06 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 166.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -65.2 -12.93 56.48 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.384 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 6.8 tpm_? -99.01 41.24 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.492 0.663 . . . . 0.0 109.849 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.55 164.63 24.61 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.662 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.4 149.28 21.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.845 0.355 . . . . 0.0 110.755 -173.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 16' ' ' GLU . 66.1 mt -94.92 117.5 38.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.037 177.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.76 130.49 55.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.498 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HG2' ' H ' ' A' ' 62' ' ' HIS . 26.7 tt0 -77.34 171.64 14.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.884 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.42 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 17.4 t-80 -145.61 -85.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 174.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -129.49 76.06 1.7 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.77 -18.84 6.83 Favored Glycine 0 CA--C 1.517 0.216 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.725 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -88.69 142.52 27.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.333 -0.434 . . . . 0.0 109.838 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 95.2 mt -112.42 106.99 15.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.201 0.524 . . . . 0.0 109.726 174.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -96.63 148.67 22.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.02 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 8.2 p -98.84 127.5 51.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 171.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -112.32 123.78 51.03 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.945 -176.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.3 m -78.01 113.55 34.15 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.898 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.05 -6.81 16.94 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.865 2.377 . . . . 0.0 112.959 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 72' ' ' LEU . 6.1 mp -63.8 -37.37 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.004 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.941 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 4.8 mmpt? -146.46 -99.27 0.09 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.34 175.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -150.04 14.69 0.82 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.48 ' OE1' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -73.76 127.24 32.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.396 -175.203 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 76' ' ' ARG . 55.4 mtt180 -113.97 128.59 56.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.264 173.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.448 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 61.7 m-85 -116.68 126.99 54.0 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -83.85 115.43 22.25 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.48 -22.71 63.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.337 -172.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -60.31 -57.46 12.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.334 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.69 -28.31 12.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.383 -175.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.63 20.58 36.98 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -168.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 88' ' ' GLU . 7.3 tp -84.18 141.04 31.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.775 -0.712 . . . . 0.0 110.774 -177.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.664 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 41.0 m -85.21 146.02 27.3 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 172.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.4 ttt -57.78 -72.07 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.525 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -92.79 -25.58 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.165 0.507 . . . . 0.0 110.961 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.512 ' HB3' ' HD2' ' A' ' 90' ' ' PHE . 18.7 m-20 -85.0 10.5 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.277 -177.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.428 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.0 pt-20 -37.03 -35.05 0.09 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -176.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.36 -21.86 66.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.749 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.512 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 31.1 m-85 -93.96 -72.39 0.61 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.664 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 70.5 m 61.89 176.32 0.12 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.157 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.61 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 35.4 m -121.98 172.88 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.08 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HE2' ' CE1' ' A' ' 95' ' ' TYR . 7.6 ttpm? -85.57 131.6 34.33 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -88.68 143.45 26.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.068 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.452 ' CE1' ' HE2' ' A' ' 93' ' ' LYS . 66.6 m-85 -119.16 126.98 52.87 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.0 125.82 28.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.697 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -125.45 139.68 53.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.103 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -152.3 165.49 34.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.076 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.2 t -97.28 116.84 40.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.208 0.527 . . . . 0.0 110.839 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.633 ' HZ2' ' HB3' ' A' ' 100' ' ' LYS . 2.1 ttpm? -117.92 110.9 18.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.448 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 60.32 28.1 17.69 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 122.163 0.982 . . . . 0.0 109.59 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.59 -5.31 83.82 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.108 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 38.7 t -100.86 135.48 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.916 0.358 . . . . 0.0 110.474 -176.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 13' ' ' ILE . 43.7 t -74.43 118.64 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.319 177.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.541 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 11.8 mm100 -100.9 142.78 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.507 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.523 HD11 HD11 ' A' ' 30' ' ' ILE . 35.3 mt -122.92 124.71 43.82 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.468 0.48 . . . . 0.0 111.372 176.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.563 ' HG3' ' HA ' ' A' ' 2' ' ' SER . 9.3 ttp180 -115.71 123.11 47.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 172.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -116.35 165.9 12.31 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.002 -1.094 . . . . 0.0 112.796 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.51 -121.79 5.54 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.524 -0.631 . . . . 0.0 111.524 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.25 1.103 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.912 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.348 0.594 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.64 41.17 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.998 -175.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.75 97.58 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.816 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.503 ' CE2' ' HD3' ' A' ' 107' ' ' ARG . 86.1 m95 -70.4 99.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -93.15 117.46 30.09 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.88 106.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.874 170.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.448 HD12 ' HB1' ' A' ' 21' ' ' ALA . 43.4 mm -80.99 -70.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.292 0.568 . . . . 0.0 110.644 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 t -159.15 169.53 23.98 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HG2' HG22 ' A' ' 103' ' ' VAL . 96.0 mttt -83.11 151.27 25.82 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.05 0.452 . . . . 0.0 110.528 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tp -66.24 -7.86 6.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.51 0.672 . . . . 0.0 110.551 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.35 -22.05 61.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.539 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.31 -38.83 13.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.083 0.468 . . . . 0.0 110.922 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.652 HD12 HG21 ' A' ' 104' ' ' VAL . 39.7 mt -81.39 99.09 4.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.244 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.1 166.03 48.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.626 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.37 142.27 88.66 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 60.2 28.25 17.82 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.423 0.689 . . . . 0.0 111.458 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -118.79 126.82 52.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.021 0.439 . . . . 0.0 111.231 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.574 ' HA2' ' HA ' ' A' ' 31' ' ' PHE . . . -105.46 134.79 12.24 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 171.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.09 172.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.902 0.351 . . . . 0.0 111.369 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.59 112.34 24.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.311 0.576 . . . . 0.0 111.007 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -103.12 117.89 35.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.455 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.69 107.9 17.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.906 0.384 . . . . 0.0 110.604 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.731 ' HG ' ' HB2' ' A' ' 110' ' ' SER . 47.4 tp -107.82 101.97 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 174.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.3 -102.75 1.21 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -172.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -129.37 0.58 5.08 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 171.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.93 122.46 32.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.251 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -80.99 118.62 22.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.952 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 21' ' ' ALA . 44.8 t -99.47 132.05 45.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.026 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -99.48 107.72 19.99 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -100.56 103.79 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.967 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.574 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 88.9 m-85 -96.6 124.51 40.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.243 -177.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -98.43 99.71 7.86 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 166.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 48.6 Cg_endo -93.41 -1.61 3.35 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 123.072 2.515 . . . . 0.0 113.62 -173.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -128.22 175.96 8.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.404 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -83.61 -9.42 58.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.372 0.606 . . . . 0.0 109.573 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 p -88.92 -169.52 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.629 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -91.78 20.26 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 111.327 -177.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.438 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 89.5 mm-40 -77.49 114.33 16.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.102 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 m -125.03 139.3 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.889 0.376 . . . . 0.0 110.539 -178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -124.26 124.01 41.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.07 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -108.71 124.37 50.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.406 -176.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.5 pt -130.14 -172.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.104 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.9 m -71.35 125.06 25.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.525 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 65.7 t30 -78.37 -24.57 46.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.035 0.445 . . . . 0.0 110.768 -176.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.3 mm -107.61 131.42 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.347 177.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.715 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 9.6 t70 -68.22 132.12 91.8 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.388 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 9.4 Cg_endo -91.58 -47.81 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.349 2.7 . . . . 0.0 114.13 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HB2' ' OD2' ' A' ' 87' ' ' ASP . 72.5 t80 -69.96 -47.04 63.88 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.325 0.583 . . . . 0.0 111.404 -173.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -98.37 -27.56 14.04 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.19 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.715 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 39.4 tt0 67.61 111.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.698 -176.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.521 ' N ' ' HB3' ' A' ' 46' ' ' ASP . 18.9 m -145.98 -177.03 5.38 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.47 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 m -86.92 -162.19 0.76 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.781 0.324 . . . . 0.0 110.829 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.37 140.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.928 -174.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.2 mt -86.29 -3.69 59.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.192 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t -62.07 -19.82 63.34 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.087 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -104.42 40.56 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.67 0.747 . . . . 0.0 109.905 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.43 164.57 24.58 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.488 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -97.33 146.18 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.009 0.433 . . . . 0.0 111.106 -171.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -101.08 122.32 53.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.295 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.95 -178.01 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' HG3' HD23 ' A' ' 66' ' ' LEU . 33.6 tt0 -118.78 139.95 50.75 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.668 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.482 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 27.6 t-80 -76.97 -60.26 2.43 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 43.7 tt0 170.41 81.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.446 -1.252 . . . . 0.0 107.656 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.32 -51.83 0.78 Allowed Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -171.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -96.43 145.7 25.43 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.76 0.314 . . . . 0.0 111.024 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.474 HD23 ' HG3' ' A' ' 61' ' ' GLU . 89.9 mt -94.36 138.86 31.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.994 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.437 ' HZ3' ' HB2' ' A' ' 85' ' ' MET . 14.1 m95 -127.75 146.2 50.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.212 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.486 ' HB ' HD21 ' A' ' 79' ' ' LEU . 9.3 p -96.85 134.72 33.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.039 0.447 . . . . 0.0 110.524 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -106.76 127.02 53.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.213 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 73' ' ' LYS . 15.2 t -87.49 127.13 59.74 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.856 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -85.34 -6.31 9.17 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.749 2.3 . . . . 0.0 111.224 171.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.9 mt -75.91 -46.57 29.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 70' ' ' SER . 0.1 OUTLIER -147.37 134.86 20.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 171.227 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -61.65 100.83 0.16 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.104 0.478 . . . . 0.0 110.442 -176.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -168.33 153.27 6.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -174.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -127.44 143.47 51.2 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.423 0.63 . . . . 0.0 112.462 -174.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.474 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 32.4 m-85 -121.24 138.98 53.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.876 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.774 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 73.1 ttt180 -76.61 120.38 21.72 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.486 HD21 ' HB ' ' A' ' 68' ' ' VAL . 90.1 mt -73.8 -47.77 36.39 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -176.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -45.26 84.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.09 0.471 . . . . 0.0 111.663 -175.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.774 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 5.7 t70 -106.84 -48.17 3.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.978 -172.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.571 ' O ' HG22 ' A' ' 92' ' ' VAL . . . 118.71 -3.43 15.05 Favored Glycine 0 C--N 1.323 -0.193 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.004 -178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.8 tp -58.41 101.91 0.1 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.496 -0.352 . . . . 0.0 111.656 175.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 26.1 t -74.43 126.02 29.81 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 167.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.437 ' HB2' ' HZ3' ' A' ' 67' ' ' TRP . 11.8 ttt -62.62 -26.93 68.87 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.741 -0.383 . . . . 0.0 111.976 -170.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -92.55 -11.13 35.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 111.642 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 9.0 t0 -106.91 10.71 30.48 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -34.17 -36.65 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -172.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -61.37 -47.03 87.72 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -114.89 -38.49 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.539 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 42.7 m 71.68 -176.4 0.19 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.117 0.567 . . . . 0.0 111.01 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 82' ' ' GLY . 15.3 m -99.23 174.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.783 0.325 . . . . 0.0 110.604 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -85.25 109.56 18.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -86.89 121.69 29.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.925 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -96.31 164.47 12.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.699 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -100.88 113.15 25.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.552 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -120.67 142.67 49.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.549 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -147.04 151.5 37.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.17 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.3 t -96.06 92.36 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.15 0.5 . . . . 0.0 110.158 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -94.68 113.61 25.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.014 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 62.66 18.25 10.42 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.265 0.353 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.86 5.07 63.01 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.153 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 9' ' ' LYS . 67.4 t -111.29 126.69 68.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.744 0.307 . . . . 0.0 110.518 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.652 HG21 HD12 ' A' ' 13' ' ' ILE . 20.8 t -77.65 112.42 15.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.465 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 75.0 mt-30 -102.57 138.85 38.93 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.048 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.434 HD12 HD22 ' A' ' 23' ' ' LEU . 2.6 tm? -118.49 126.41 51.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.392 -176.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.503 ' HD3' ' CE2' ' A' ' 4' ' ' TRP . 6.5 ttp180 -117.98 136.64 53.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.922 174.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -149.38 -100.97 0.23 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.438 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.73 50.56 0.17 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.731 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 5.0 m . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.81 -0.614 . . . . 0.0 109.696 -175.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.583 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 50.4 m -131.82 -21.28 2.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.25 -177.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 61.65 45.27 8.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.672 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -70.05 107.77 3.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.998 174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -97.61 123.96 41.7 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.044 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.4 136.71 53.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 mm -102.89 -67.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.23 0.538 . . . . 0.0 109.779 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 p -158.46 -175.66 5.45 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 62.4 mttm -83.04 149.46 26.93 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.663 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.52 HD12 HG21 ' A' ' 99' ' ' VAL . 18.1 tt -71.1 -18.12 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.283 0.563 . . . . 0.0 110.465 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.26 -29.32 70.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.18 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.97 -24.59 63.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.97 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 mt -103.58 106.0 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.157 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.27 158.25 88.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.013 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.71 142.44 98.61 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.255 1.97 . . . . 0.0 111.302 174.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 70.09 24.48 5.0 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.827 0.704 . . . . 0.0 110.96 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -120.68 143.96 48.45 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.002 0.429 . . . . 0.0 111.27 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.09 143.7 15.29 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.03 175.11 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.709 0.29 . . . . 0.0 111.122 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -109.76 143.35 39.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.378 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.01 160.56 39.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.636 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.2 122.56 46.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.953 0.406 . . . . 0.0 110.995 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 tt -122.78 102.88 8.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.4 -100.76 0.83 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.405 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -123.77 -7.73 7.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.163 0.506 . . . . 0.0 109.965 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -93.06 129.12 39.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.893 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -81.57 122.61 27.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.768 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -111.25 138.47 39.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.227 -174.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.31 116.22 32.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.188 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.438 HD11 HD11 ' A' ' 106' ' ' LEU . 61.0 mt -98.86 115.14 38.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.172 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -111.97 124.77 53.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.359 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -111.74 100.01 46.91 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.494 ' HB2' HD13 ' A' ' 66' ' ' LEU . 55.8 Cg_endo -89.47 -35.72 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.539 2.159 . . . . 0.0 112.93 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -89.89 168.17 12.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.166 0.507 . . . . 0.0 111.313 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -86.09 -17.23 35.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.787 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 m -72.34 -171.79 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.588 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -89.07 5.26 45.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.025 0.441 . . . . 0.0 110.766 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -78.46 109.38 12.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.051 0.453 . . . . 0.0 110.768 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -115.35 160.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.205 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -128.44 133.82 48.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.777 0.322 . . . . 0.0 110.407 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.81 119.96 33.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.178 0.513 . . . . 0.0 111.167 -176.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.5 pt -124.77 175.3 7.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.679 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.0 t -62.77 133.98 55.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.647 HD21 HG12 ' A' ' 53' ' ' VAL . 67.0 t30 -89.33 -4.15 58.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.164 0.507 . . . . 0.0 110.563 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.34 124.98 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -175.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.763 ' HB2' HD21 ' A' ' 54' ' ' LEU . 6.1 t70 -89.29 126.01 59.99 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.872 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 2.9 Cg_endo -86.9 -8.41 6.83 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.089 2.526 . . . . 0.0 113.367 -177.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -85.39 -51.68 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.653 0.264 . . . . 0.0 111.032 -174.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.594 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 97.3 m-85 -105.47 -1.23 25.17 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 42.6 mt-10 62.1 60.19 1.53 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.306 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.584 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 47.6 t -102.23 143.15 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.769 -177.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 p -81.52 -23.38 37.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.996 -175.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.647 HG12 HD21 ' A' ' 44' ' ' ASN . 16.6 m -128.52 124.05 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.391 0.615 . . . . 0.0 112.456 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 46' ' ' ASP . 63.5 mt -92.48 -12.82 31.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.999 168.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 p -71.04 -1.59 12.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.859 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -93.75 40.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.74 164.69 24.67 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.853 -176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.68 144.91 28.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.689 0.28 . . . . 0.0 111.014 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.7 mt -90.14 127.72 42.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.156 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.38 139.16 28.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -89.37 135.26 33.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.625 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -88.53 -71.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -150.28 97.51 2.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.826 175.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.73 -46.93 3.56 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.722 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -88.87 138.67 31.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.494 HD13 ' HB2' ' A' ' 33' ' ' PRO . 90.3 mt -88.67 130.69 35.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.419 178.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.449 ' CE3' ' HG2' ' A' ' 76' ' ' ARG . 35.1 m95 -118.81 159.7 23.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.106 -177.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 p -115.48 134.4 58.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -109.99 116.66 31.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.043 0.449 . . . . 0.0 111.257 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 75' ' ' GLN . 40.5 t -85.11 124.24 72.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.077 177.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 5.0 Cg_exo -75.48 5.66 4.08 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.304 2.67 . . . . 0.0 113.0 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.72 -56.01 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.299 . . . . 0.0 110.55 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.594 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 32.7 tptt -146.65 27.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.914 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt 64.62 61.8 0.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.83 0.824 . . . . 0.0 110.199 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.531 ' HB2' ' HB3' ' A' ' 70' ' ' SER . 29.8 mt-30 -99.87 130.48 46.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.179 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.449 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 13.4 ttm180 -119.07 123.13 43.7 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.477 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -115.01 149.21 37.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.083 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.479 ' NH2' HD22 ' A' ' 83' ' ' LEU . 53.3 ttp180 -94.12 122.05 36.25 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.41 -8.77 57.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.059 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.3 m -58.46 -30.73 67.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 111.167 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -147.63 -70.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.103 0.478 . . . . 0.0 110.067 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.11 42.17 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.551 HD11 ' HG3' ' A' ' 88' ' ' GLU . 6.4 tp -101.99 149.52 24.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.291 -0.454 . . . . 0.0 110.42 -174.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 42.1 t -96.86 149.71 21.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -63.01 1.45 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.693 0.282 . . . . 0.0 111.019 -175.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -88.07 -32.48 18.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.218 0.532 . . . . 0.0 110.694 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 3.3 t0 -81.08 10.71 4.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.288 -175.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.551 ' HG3' HD11 ' A' ' 83' ' ' LEU . 42.0 tt0 -34.2 -38.69 0.07 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.218 1.007 . . . . 0.0 113.405 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.83 -41.49 87.02 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.422 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -137.96 83.91 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.5 . . . . 0.0 109.898 -177.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -97.91 -164.55 1.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.536 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -93.11 178.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.259 0.552 . . . . 0.0 112.099 -173.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -88.09 134.6 33.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.944 -174.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -105.8 127.86 53.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.261 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -106.65 146.72 30.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -80.72 137.47 36.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.58 148.61 50.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.709 0.29 . . . . 0.0 111.166 -177.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -146.68 158.97 44.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.942 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.52 HG21 HD12 ' A' ' 10' ' ' ILE . 95.2 t -114.14 110.39 31.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.195 0.521 . . . . 0.0 109.857 175.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -116.35 116.34 27.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.129 -176.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 61.73 25.64 15.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.283 0.564 . . . . 0.0 109.976 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.66 8.06 80.73 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.611 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 24.4 t -109.76 132.2 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.979 0.39 . . . . 0.0 110.552 -177.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.89 115.24 20.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -112.71 137.64 50.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.438 HD11 HD11 ' A' ' 30' ' ' ILE . 83.1 mt -112.77 138.84 48.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.022 0.439 . . . . 0.0 111.27 -177.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.583 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 33.4 ttt-85 -123.28 141.98 51.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.483 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.51 -72.75 0.21 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.168 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 74.73 -158.54 51.48 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -176.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.15 179.005 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -71.54 107.72 4.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.926 0.393 . . . . 0.0 111.708 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.609 HE22 HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -144.06 114.26 7.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.199 0.523 . . . . 0.0 110.587 172.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -67.17 116.52 8.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.092 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 36.0 mmtm -97.5 123.56 41.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.045 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.27 100.45 5.1 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.6 mm -85.75 -82.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.467 0.651 . . . . 0.0 110.906 -174.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 81.8 m -146.64 -165.27 2.19 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 6.3 mtpm? -100.14 159.19 15.3 Favored 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.925 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.9 tt -72.27 -10.3 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.73 0.776 . . . . 0.0 109.578 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.79 -19.87 61.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.965 175.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -81.94 -18.08 44.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.929 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 mt -113.61 125.95 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.984 0.421 . . . . 0.0 110.681 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 88.5 mt -89.04 165.9 24.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.664 -177.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 19.9 Cg_endo -61.43 132.88 43.01 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.218 1.945 . . . . 0.0 111.638 174.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' OE1' ' HB2' ' A' ' 15' ' ' PRO . 2.7 mp0 60.71 42.45 13.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.809 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -135.08 157.51 46.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.678 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.46 143.82 15.6 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.174 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -123.59 169.8 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.506 0.193 . . . . 0.0 110.59 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.1 m -109.03 129.23 55.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.656 0.265 . . . . 0.0 110.49 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.46 155.22 47.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.731 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.16 112.11 23.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.984 0.421 . . . . 0.0 110.886 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.609 HD21 HE22 ' A' ' 3' ' ' GLN . 10.1 tt -106.98 96.99 6.83 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.09 -100.41 0.64 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.348 -0.929 . . . . 0.0 110.816 -173.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -122.99 6.97 9.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 171.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.741 ' HG3' ' HA2' ' A' ' 109' ' ' GLY . 42.3 mm-40 -84.8 115.03 22.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.199 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -80.07 102.42 9.3 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 106' ' ' LEU . 42.1 t -106.33 137.35 37.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.079 -172.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . . . -104.33 112.68 25.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.681 175.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.447 HD11 HD11 ' A' ' 106' ' ' LEU . 43.0 mt -90.76 107.69 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.73 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.23 129.62 48.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -104.25 99.86 19.12 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 167.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 75.5 Cg_endo -89.74 -29.81 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.84 2.36 . . . . 0.0 112.946 -176.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -99.77 155.97 17.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -72.82 -16.31 61.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.309 0.576 . . . . 0.0 110.145 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -90.11 -153.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.169 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -85.97 0.74 52.48 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.618 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.454 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 9.2 tt0 -78.48 102.97 8.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.484 -175.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -119.08 156.67 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.52 135.55 40.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.077 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.86 131.93 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.819 0.342 . . . . 0.0 110.83 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.7 pt -138.31 178.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.678 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -67.9 132.2 46.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.63 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 28.5 p-10 -81.23 -17.4 49.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.948 -176.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 51' ' ' SER . 71.4 mt -111.61 117.29 54.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.001 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.75 ' HB3' ' HZ ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -70.57 133.76 86.73 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.467 175.683 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 16.6 Cg_exo -67.93 -49.85 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.437 2.758 . . . . 0.0 114.453 -169.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -91.59 -39.72 11.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.146 0.498 . . . . 0.0 110.353 -173.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.679 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 7.5 t80 -74.46 -29.42 61.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.313 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 59.59 59.88 2.43 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 173.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 3.9 m -102.9 161.91 13.36 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 168.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -93.29 -48.81 6.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.55 124.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 61.5 mt -92.31 -19.51 22.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.85 170.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 m -64.22 -27.16 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.093 -174.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.33 40.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.832 0.349 . . . . 0.0 110.749 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.67 164.58 24.65 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.6 pt? -91.33 151.9 20.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.978 0.418 . . . . 0.0 110.887 -175.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -106.51 120.66 58.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.46 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -123.65 152.48 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.839 0.352 . . . . 0.0 111.211 -176.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -85.1 126.06 33.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.891 177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -85.39 -76.19 0.33 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.273 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -132.15 11.84 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.436 0.636 . . . . 0.0 109.386 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.21 -30.43 1.75 Allowed Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.873 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.05 149.01 21.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 97.8 mt -93.53 122.87 36.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.158 0.504 . . . . 0.0 111.121 -177.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -111.97 132.77 54.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.978 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.51 137.29 24.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -129.37 117.99 21.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.491 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 17.1 m -82.49 138.4 44.59 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.946 177.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.3 Cg_exo -72.82 21.86 0.31 Allowed 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.609 2.873 . . . . 0.0 113.456 -175.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.44 -84.17 0.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.711 0.291 . . . . 0.0 110.226 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -112.31 26.76 10.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.749 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt 63.73 30.33 14.71 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.741 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 4.2 pt20 -63.49 142.21 58.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.092 -178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -123.5 121.44 35.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.558 -172.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.75 ' HZ ' ' HB3' ' A' ' 46' ' ' ASP . 42.4 m-85 -123.34 131.9 53.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 111.181 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -88.46 104.69 17.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.075 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.18 -22.88 66.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.301 -174.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -58.43 -49.03 78.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.558 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -126.82 -8.52 6.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.482 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.78 12.22 53.55 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.992 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -75.21 136.01 41.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.665 -0.315 . . . . 0.0 110.733 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 87' ' ' ASP . 51.9 t -97.09 153.76 17.75 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -44.03 16.24 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -77.41 -46.38 22.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.554 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 5.1 m-20 -87.19 9.97 18.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.357 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -34.04 -47.34 0.27 Allowed 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -166.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -61.78 -31.46 71.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.231 0.469 . . . . 0.0 111.853 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -104.15 -58.08 1.94 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.18 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.9 m 62.87 -172.78 0.16 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.576 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.95 167.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.104 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 33.1 mmtm -83.37 130.9 35.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.188 0.518 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -84.94 112.48 20.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.518 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.536 ' CD1' ' HA3' ' A' ' 108' ' ' GLY . 31.1 m-85 -98.95 138.62 35.8 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -79.78 115.72 19.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.278 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.05 131.44 55.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.129 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -131.82 159.59 38.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.546 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.7 t -106.76 97.15 5.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.796 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -95.63 106.04 18.1 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.286 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.8 t70 66.46 3.38 2.82 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.41 0.624 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.03 4.39 25.89 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.907 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 67.2 t -104.84 137.72 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.5 t -82.37 116.21 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 63.9 mt-30 -114.7 132.76 56.3 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.504 175.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.483 HD13 HG11 ' A' ' 28' ' ' VAL . 93.9 mt -108.87 136.94 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.322 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -122.58 113.89 19.89 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 172.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.536 ' HA3' ' CD1' ' A' ' 95' ' ' TYR . . . -179.41 -158.83 22.4 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.071 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.741 ' HA2' ' HG3' ' A' ' 26' ' ' GLU . . . 101.0 175.02 29.14 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.4 m . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.7 -0.667 . . . . 0.0 109.951 177.352 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.64 0.257 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.509 ' HB3' ' HD3' ' A' ' 107' ' ' ARG . 15.0 m -131.59 82.13 2.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.943 0.402 . . . . 0.0 110.252 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -78.4 84.6 4.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.003 0.43 . . . . 0.0 110.001 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 98.7 m95 -69.52 101.97 1.72 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.443 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -83.27 110.56 18.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.702 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.83 ' HB3' HE21 ' A' ' 105' ' ' GLN . 7.9 p-10 -75.7 123.85 26.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.214 0.53 . . . . 0.0 110.044 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 mm -93.59 -78.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.349 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.4 m -142.53 -168.44 2.74 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 63.5 mttp -88.93 157.84 18.27 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.562 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 tp -70.26 -11.74 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.6 0.714 . . . . 0.0 109.804 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -74.93 -28.6 60.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.9 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.34 -34.81 78.81 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.219 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.486 HD12 HG21 ' A' ' 104' ' ' VAL . 22.6 mt -104.03 92.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.133 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.843 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -70.98 167.13 31.41 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.35 178.83 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 73.9 Cg_exo -52.06 141.5 47.36 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.571 2.181 . . . . 0.0 112.873 178.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE2' ' HE1' ' A' ' 35' ' ' HIS . 1.4 mp0 54.51 46.71 24.32 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.538 -178.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.65 ' OG1' ' HG ' ' A' ' 14' ' ' LEU . 33.7 m -132.14 136.63 47.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.045 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -121.45 126.83 6.67 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.69 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 m -116.76 152.05 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.975 0.416 . . . . 0.0 110.942 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 p -94.74 120.32 34.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.82 167.78 17.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.97 138.2 52.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.22 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 tt -125.42 95.04 4.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.4 -89.01 0.61 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.622 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -128.03 -8.87 5.41 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 149.9 21.72 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.123 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -99.45 107.11 19.24 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.511 HG11 HD13 ' A' ' 106' ' ' LEU . 38.6 t -108.82 128.68 64.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.058 0.456 . . . . 0.0 111.107 -172.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -96.32 121.14 37.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.626 176.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.447 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 28.5 mt -100.82 120.15 49.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 81.2 m-85 -121.12 120.55 35.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.832 -174.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -97.71 99.9 7.45 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 66.1 Cg_endo -90.87 1.92 4.82 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.201 2.601 . . . . 0.0 113.487 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -133.58 177.08 7.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.957 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.5 ' HE1' ' OE2' ' A' ' 16' ' ' GLU . 3.3 m-70 -89.82 -8.04 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.6 p -88.66 -159.62 0.58 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.36 -176.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -90.81 8.29 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.136 -176.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -84.04 118.89 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.971 -177.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.71 145.41 35.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.417 ' CD2' ' HG3' ' A' ' 33' ' ' PRO . 34.3 m-85 -121.01 153.19 37.67 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 95' ' ' TYR . . . -131.12 135.66 47.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.606 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.6 pt -140.17 178.08 3.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.122 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.9 m -59.98 128.0 34.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.471 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 55.7 t30 -83.1 -31.23 27.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.305 -0.407 . . . . 0.0 112.032 -173.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.574 HG23 ' O ' ' A' ' 51' ' ' SER . 36.8 mm -93.55 139.3 18.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' HB2' ' H ' ' A' ' 51' ' ' SER . 9.9 m-20 -57.14 105.83 0.59 Allowed Pre-proline 0 N--CA 1.468 0.459 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 172.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 35.1 Cg_exo -57.34 -65.28 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 123.254 2.636 . . . . 0.0 113.552 -166.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -88.94 -10.74 46.64 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.856 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 5.8 t80 -94.17 -18.64 21.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.097 -176.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 67.68 35.32 4.08 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.817 0.447 . . . . 0.0 111.929 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 45' ' ' ILE . 67.6 m -102.4 -165.78 1.22 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.955 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -92.44 -151.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.165 0.507 . . . . 0.0 111.834 -171.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 m -76.16 135.29 27.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.518 -172.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 58.2 mt -74.92 -10.35 59.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.396 176.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -66.75 -14.37 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.765 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 51.8 ttm-85 -97.39 40.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.578 0.704 . . . . 0.0 109.31 175.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.84 164.66 24.7 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.843 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.758 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.5 pt? -99.85 151.7 20.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.823 0.344 . . . . 0.0 111.033 -175.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.6 mt -104.43 121.05 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.754 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -125.51 139.21 53.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.163 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -86.9 129.19 34.98 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.008 0.432 . . . . 0.0 110.693 -177.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -77.64 -56.34 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 5.9 tp60 176.31 86.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.78 -32.02 3.52 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.527 -172.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.85 139.1 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.347 0.259 . . . . 0.0 110.351 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.46 HD13 ' HB2' ' A' ' 33' ' ' PRO . 65.4 mt -105.71 114.77 29.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.899 0.38 . . . . 0.0 110.463 178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.411 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 44.5 m95 -110.39 144.07 39.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.421 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.33 143.18 22.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.26 128.49 41.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.799 0.333 . . . . 0.0 111.518 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 p -82.83 119.64 74.81 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.794 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.65 2.35 2.52 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.93 2.42 . . . . 0.0 113.01 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 51' ' ' SER . 6.6 mp -77.29 -30.27 54.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.205 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 62.3 tttp -136.75 -16.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.646 175.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 67.82 42.37 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.013 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -87.25 142.68 27.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.367 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -99.49 121.54 41.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.979 0.418 . . . . 0.0 111.749 -174.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.42 ' HD2' ' HG ' ' A' ' 84' ' ' CYS . 18.2 m-85 -115.05 123.42 48.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.466 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.404 HH21 ' CG ' ' A' ' 81' ' ' ASP . 46.1 ttp180 -87.49 100.62 12.9 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.08 -11.11 46.47 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.25 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -64.56 -48.68 74.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 19.0 p-10 -118.66 -28.73 5.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.338 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 91' ' ' SER . . . 108.71 13.6 18.05 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.426 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.0 tp -83.77 137.6 33.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.991 0.424 . . . . 0.0 111.287 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 38.6 m -102.36 133.66 46.92 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 172.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 23.1 ttt -71.94 -30.3 65.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.947 0.403 . . . . 0.0 111.234 -175.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -92.58 -32.3 14.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.345 0.593 . . . . 0.0 110.749 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 84' ' ' CYS . 20.1 t70 -106.74 10.44 30.87 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.567 -169.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -36.9 -32.77 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -171.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.24 -35.42 73.65 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.221 0.464 . . . . 0.0 111.162 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -111.46 -61.26 1.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.681 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.661 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 47.2 m 63.24 -169.12 0.19 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.731 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.0 m -106.75 163.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -92.46 139.69 30.33 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.406 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 36.8 t-80 -87.42 134.07 33.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.994 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.475 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 63.3 m-85 -118.51 145.0 45.65 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 175.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.52 142.88 27.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.887 0.375 . . . . 0.0 110.816 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.03 151.18 51.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -144.17 156.73 44.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.7 t -105.45 102.06 13.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -93.54 106.92 18.84 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 p30 47.79 24.98 0.64 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.02 0.928 . . . . 0.0 112.595 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.26 -9.02 26.81 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.994 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 11.7 t -101.18 132.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.941 0.37 . . . . 0.0 110.774 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.486 HG21 HD12 ' A' ' 13' ' ' ILE . 22.2 t -80.0 121.37 33.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.42 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.83 HE21 ' HB3' ' A' ' 6' ' ' ASP . 74.2 mt-30 -120.18 136.53 54.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.732 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.511 HD13 HG11 ' A' ' 28' ' ' VAL . 81.5 mt -112.67 137.68 50.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.305 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.509 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 60.4 ttp85 -115.39 106.16 13.67 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -154.24 -172.49 22.23 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.176 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.55 -155.17 26.02 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.254 1.328 0 CA-C-O 118.751 -0.643 . . . . 0.0 109.9 179.281 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 121.087 0.47 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.627 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 0.3 OUTLIER -148.94 102.83 3.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.534 174.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.425 ' OE1' ' HA ' ' A' ' 110' ' ' SER . 47.4 tt0 -115.33 101.13 8.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.95 177.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.592 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 96.1 m95 -75.48 83.68 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 171.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -78.97 134.56 36.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.545 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -73.25 140.25 46.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.407 HG22 ' SG ' ' A' ' 8' ' ' CYS . 35.0 mm -113.38 -71.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.19 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' SG ' HG22 ' A' ' 7' ' ' ILE . 62.5 m -144.4 173.64 11.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.724 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -90.04 136.95 32.73 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 HD12 HG21 ' A' ' 99' ' ' VAL . 15.6 tt -65.92 -16.14 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.031 0.444 . . . . 0.0 111.324 -174.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -25.26 64.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.471 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -82.29 -33.53 29.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.115 0.483 . . . . 0.0 110.949 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.1 mt -85.55 105.77 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.71 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.41 165.78 47.95 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.717 ' HG3' ' HB3' ' A' ' 35' ' ' HIS . 44.9 Cg_exo -56.01 136.27 74.03 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.497 2.132 . . . . 0.0 112.279 176.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 63.5 43.58 5.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.526 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.6 m -129.94 140.59 50.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.297 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.09 143.71 15.8 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.991 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 m -124.37 160.11 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.781 0.324 . . . . 0.0 110.66 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -105.96 130.91 53.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.235 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.32 163.8 30.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 0.0 110.893 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 tt -117.97 121.96 42.01 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.84 93.08 4.32 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.63 -82.67 0.48 Allowed Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.908 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.3 -20.8 6.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.106 0.479 . . . . 0.0 111.254 -175.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 26' ' ' GLU . 2.4 pt-20 -116.93 151.23 37.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.142 -170.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.434 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . 16.0 mm-40 -84.94 127.27 34.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.874 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.507 HG11 HD13 ' A' ' 106' ' ' LEU . 22.5 t -123.82 130.28 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.934 0.397 . . . . 0.0 110.702 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 41' ' ' ALA . . . -102.27 124.63 48.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.076 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.51 HD11 HD11 ' A' ' 106' ' ' LEU . 51.0 mt -106.31 119.18 55.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 84.9 m-85 -113.47 128.13 56.34 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.336 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -105.56 100.06 24.58 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 171.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 55.7 Cg_endo -91.07 -24.88 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.954 2.436 . . . . 0.0 112.533 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -107.48 127.8 53.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.911 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.717 ' HB3' ' HG3' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -77.55 25.44 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 177.725 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.7 m -104.55 -96.6 0.32 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.076 173.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -148.22 18.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.186 0.517 . . . . 0.0 110.824 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -105.25 116.44 31.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.529 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.94 151.65 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.791 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.59 148.17 44.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.451 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -134.81 129.24 34.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.809 0.338 . . . . 0.0 110.67 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.4 pt -136.24 -177.47 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.894 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.523 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 13.9 m -62.48 127.59 32.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 10.5 t30 -76.16 -28.68 57.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 51' ' ' SER . 38.8 mm -96.13 134.12 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.58 -176.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.627 ' OD1' ' HB2' ' A' ' 51' ' ' SER . 2.7 m-20 -58.54 122.27 59.31 Favored Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 171.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.86 -73.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.77 2.313 . . . . 0.0 113.366 -175.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.72 -25.64 18.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.625 0.25 . . . . 0.0 111.558 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 64.1 t80 -75.53 -28.38 59.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.396 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 61.62 95.19 0.04 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.435 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.627 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 75.0 m -148.97 173.8 12.96 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.447 ' O ' HD13 ' A' ' 45' ' ' ILE . 5.8 p -90.28 -51.47 5.42 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -170.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -128.96 124.46 60.99 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -171.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -92.31 -7.72 47.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.224 171.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.53 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 3.3 p -82.53 1.31 38.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.509 -174.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 mtp-105 -109.39 40.94 1.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.392 . . . . 0.0 110.828 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.69 164.66 24.66 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.727 HD23 ' H ' ' A' ' 58' ' ' LEU . 1.6 pt? -90.88 140.75 29.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.98 0.419 . . . . 0.0 111.364 -174.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 52.7 mt -96.5 125.74 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.753 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.25 152.7 51.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.966 0.412 . . . . 0.0 111.299 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 64' ' ' GLY . 0.2 OUTLIER -99.4 144.74 28.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 176.564 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -145.02 -19.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -169.99 28.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.923 0.392 . . . . 0.0 112.025 -173.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.453 ' H ' ' CD ' ' A' ' 61' ' ' GLU . . . 89.39 13.51 61.5 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -176.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -134.17 142.56 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.828 0.347 . . . . 0.0 110.366 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.24 102.73 15.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.616 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -99.76 122.52 42.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.359 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.479 ' HB ' HD23 ' A' ' 79' ' ' LEU . 7.6 p -100.12 130.43 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -117.16 112.46 20.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.973 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.614 ' HB3' HD13 ' A' ' 72' ' ' LEU . 18.5 m -78.8 125.53 83.98 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.775 175.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.3 Cg_exo -73.43 10.16 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.245 2.63 . . . . 0.0 113.367 -174.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 70' ' ' SER . 7.6 mp -65.47 -63.84 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 110.382 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -136.31 22.59 3.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.683 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.0 tttt 62.61 77.61 0.32 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.586 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.81 ' HG3' ' HE1' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -115.0 131.55 56.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.112 179.301 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -103.45 115.68 30.99 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.988 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.81 ' HE1' ' HG3' ' A' ' 75' ' ' GLN . 97.3 m-85 -118.21 133.16 56.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.259 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -91.51 92.1 8.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.479 HD23 ' HB ' ' A' ' 68' ' ' VAL . 3.3 pp -72.3 -12.57 61.2 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -172.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 p -74.87 -1.35 21.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.105 0.479 . . . . 0.0 110.859 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -149.79 -45.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.051 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.24 -17.79 8.45 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.923 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.1 tp -57.62 128.38 36.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.217 0.532 . . . . 0.0 111.274 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.1 m -103.95 124.61 49.3 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.6 ttt -67.06 -20.72 65.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.733 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -83.15 -46.88 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.23 0.538 . . . . 0.0 110.923 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -103.28 10.36 37.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.951 -170.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -34.02 -37.3 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.338 1.606 . . . . 0.0 115.338 -170.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.81 -25.08 62.82 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.982 0.42 . . . . 0.0 111.544 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -124.44 -57.36 1.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.928 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.2 m 65.49 177.05 0.21 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.013 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.523 ' HB ' ' HB2' ' A' ' 43' ' ' SER . 34.5 m -91.36 167.31 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.072 176.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -92.59 127.16 37.99 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.982 0.42 . . . . 0.0 110.619 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -90.5 150.49 21.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.722 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -113.49 169.06 9.24 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -101.45 135.48 42.88 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -136.31 145.51 45.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.979 0.418 . . . . 0.0 111.846 -174.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.592 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 11.0 ptm180 -151.15 145.44 25.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.951 174.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.458 HG21 HD12 ' A' ' 10' ' ' ILE . 52.1 t -86.32 103.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.365 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.632 ' HB2' ' HG3' ' A' ' 105' ' ' GLN . 1.7 ttpm? -91.41 108.12 19.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.478 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 p30 52.7 18.78 1.08 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.829 0.851 . . . . 0.0 112.75 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.84 -8.94 27.66 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.661 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.3 t -101.85 134.94 40.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.6 118.54 20.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.479 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.632 ' HG3' ' HB2' ' A' ' 100' ' ' LYS . 6.2 mm100 -110.24 133.62 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 30' ' ' ILE . 72.7 mt -117.44 134.81 54.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.693 0.282 . . . . 0.0 110.868 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.627 ' HE ' ' HB3' ' A' ' 2' ' ' SER . 34.9 ttt180 -111.11 120.95 44.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.985 174.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.3 -83.09 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -108.96 -136.36 7.66 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.724 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.425 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 53.9 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.916 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 121.56 0.695 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.902 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 2.4 m -146.39 63.63 1.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.562 ' O ' ' HA ' ' A' ' 107' ' ' ARG . 20.3 mp0 -58.38 108.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.893 -171.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.509 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 95.5 m95 -84.82 85.76 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 169.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -71.56 108.99 5.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.207 -178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.07 121.02 14.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.641 174.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.8 mm -96.76 -70.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.088 -175.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -154.22 -161.92 1.32 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HE2' ' OD1' ' A' ' 11' ' ' ASP . 47.9 mtpt -104.28 164.15 11.93 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.667 -176.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -73.28 -10.05 13.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.844 0.831 . . . . 0.0 108.969 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.494 ' OD1' ' HE2' ' A' ' 9' ' ' LYS . 2.5 m-20 -74.18 -36.26 64.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.528 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.51 -4.26 55.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.112 0.482 . . . . 0.0 110.637 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.595 HD12 HG21 ' A' ' 104' ' ' VAL . 35.6 mt -105.49 91.71 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.307 0.575 . . . . 0.0 109.55 173.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.98 146.04 97.49 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.35 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 46.4 Cg_exo -57.1 129.82 36.38 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.524 2.149 . . . . 0.0 112.036 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 15' ' ' PRO . 92.3 mt-10 75.54 32.81 0.69 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.041 0.838 . . . . 0.0 110.74 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -133.37 154.82 50.42 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.494 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.83 144.38 18.16 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.44 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.409 HG11 HG12 ' A' ' 13' ' ' ILE . 35.9 m -120.01 150.01 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.117 0.484 . . . . 0.0 111.248 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -88.16 115.0 25.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.002 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.81 166.75 15.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.826 0.346 . . . . 0.0 110.573 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 27' ' ' GLN . 96.8 mt -131.06 122.3 26.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.485 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.31 91.98 8.97 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 171.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.58 -90.57 0.75 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 -169.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.21 -10.04 5.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.67 0.271 . . . . 0.0 110.4 172.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -76.71 126.2 30.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 110.543 -176.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.72 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . 23.3 mp0 -69.13 116.48 9.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.249 -176.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.479 HG11 HD13 ' A' ' 106' ' ' LEU . 59.6 t -118.97 130.86 73.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.089 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -99.37 111.68 24.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.214 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.521 HD11 HD11 ' A' ' 106' ' ' LEU . 60.3 mt -95.31 109.7 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.001 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 98.6 m-85 -104.25 125.6 50.65 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -108.45 99.77 34.57 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 168.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HB2' HD13 ' A' ' 66' ' ' LEU . 72.8 Cg_endo -92.89 -24.0 0.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.538 2.159 . . . . 0.0 112.689 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -99.35 159.87 14.69 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.051 0.453 . . . . 0.0 110.544 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -90.28 3.43 53.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.953 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -95.09 -173.84 3.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.949 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -86.15 69.81 10.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.624 0.25 . . . . 0.0 110.68 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -148.0 135.95 21.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.713 0.292 . . . . 0.0 110.585 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.0 m -138.13 153.68 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.344 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -120.58 129.88 53.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.873 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.55 119.62 35.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.16 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' LYS . 39.4 pt -130.78 -178.77 2.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.264 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 m -62.4 130.06 43.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.72 ' HB3' ' HB3' ' A' ' 27' ' ' GLN . 63.4 t30 -83.85 -18.7 36.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 111.142 -175.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.3 mm -116.24 140.89 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' HB3' ' H ' ' A' ' 51' ' ' SER . 8.8 t70 -68.8 122.51 85.2 Favored Pre-proline 0 N--CA 1.469 0.494 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 174.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.27 -55.94 0.84 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.99 2.46 . . . . 0.0 114.367 -172.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -91.3 -37.63 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.798 0.332 . . . . 0.0 111.823 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -79.34 -22.98 43.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.775 0.321 . . . . 0.0 110.333 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 50' ' ' GLU . 5.6 mm-40 62.53 72.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.783 0.801 . . . . 0.0 110.798 -178.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.425 ' H ' ' HB3' ' A' ' 46' ' ' ASP . 10.6 t -102.49 -165.85 1.22 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 174.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -106.3 -154.76 0.53 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 44' ' ' ASN . 34.3 m -68.33 124.56 24.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.896 0.855 . . . . 0.0 111.049 -174.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.1 mt -84.38 -16.1 44.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.208 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.574 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 5.2 p -68.27 -13.64 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.045 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -98.5 40.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.671 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.63 164.81 24.63 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.107 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.812 HD23 ' H ' ' A' ' 58' ' ' LEU . 1.9 pt? -86.76 137.09 32.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.962 0.41 . . . . 0.0 111.042 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.2 mt -97.83 119.44 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.887 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.33 141.16 43.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.912 0.387 . . . . 0.0 110.694 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HG2' ' H ' ' A' ' 63' ' ' GLN . 42.0 tt0 -87.63 118.25 26.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.896 177.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -94.62 36.24 1.18 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.543 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 22.6 tp60 64.54 83.29 0.17 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.659 -177.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.36 -65.73 0.26 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.759 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -90.94 145.73 24.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.897 0.38 . . . . 0.0 110.495 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 33' ' ' PRO . 78.5 mt -106.66 125.2 50.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.658 -177.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -116.68 131.65 56.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.941 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.61 133.36 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -115.44 130.85 57.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.682 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB3' ' O ' ' A' ' 73' ' ' LYS . 33.3 t -82.32 137.07 45.68 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.119 179.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HD2' HD12 ' A' ' 72' ' ' LEU . 5.3 Cg_exo -76.46 -19.22 15.1 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.922 2.415 . . . . 0.0 112.07 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.433 HD12 ' HD2' ' A' ' 71' ' ' PRO . 5.3 mp -78.62 -64.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 70' ' ' SER . 57.0 tptt -114.08 144.56 42.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 174.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -76.03 61.25 1.51 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.905 0.859 . . . . 0.0 110.995 -174.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.514 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -92.29 145.79 24.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.065 178.404 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.55 121.85 23.9 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 75' ' ' GLN . 33.5 m-85 -119.0 134.78 54.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 -177.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -84.66 113.88 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.5 -25.38 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.05 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m -57.71 -48.69 78.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.095 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -125.53 -19.57 4.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.74 15.24 37.61 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.221 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.6 tp -72.98 134.63 44.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.782 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 59.1 m -88.68 138.94 30.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.8 ttt -58.24 -70.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -92.85 -19.25 21.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.471 0.653 . . . . 0.0 110.838 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.49 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 2.7 m-20 -94.12 10.62 33.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.373 -175.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -34.04 -39.93 0.08 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -59.34 -28.5 66.89 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 111.638 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -119.16 41.63 3.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.448 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.782 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 68.1 m -60.91 163.8 5.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.116 0.484 . . . . 0.0 111.711 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.6 m -90.9 172.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.398 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 88.2 tttt -93.2 135.23 34.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 -176.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -95.34 119.38 33.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.055 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -95.37 146.53 24.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 17.6 mm-40 -80.71 107.26 13.37 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -177.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.04 142.82 46.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.578 -173.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.509 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 9.9 ptm180 -150.63 162.03 41.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.03 175.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.14 115.69 38.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -114.94 113.33 24.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.383 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 64.76 12.59 7.78 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.412 0.445 . . . . 0.0 110.887 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.72 5.49 57.62 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.047 -174.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 46.8 t -112.22 135.21 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.595 HG21 HD12 ' A' ' 13' ' ' ILE . 24.9 t -78.02 120.64 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.787 0.327 . . . . 0.0 111.201 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -108.7 133.4 52.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.182 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 30' ' ' ILE . 68.3 mt -117.02 113.92 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.955 0.159 . . . . 0.0 110.83 176.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.902 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 36.7 ttp85 -96.69 109.47 22.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.963 0.411 . . . . 0.0 109.978 174.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -136.81 -70.1 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.072 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.58 105.28 0.23 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.058 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.256 -179.552 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' N ' ' A' ' 2' ' ' SER . 7.5 tmm? . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.738 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 67.3 m -61.56 98.64 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.958 0.409 . . . . 0.0 110.745 175.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -103.25 99.04 8.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.442 0.639 . . . . 0.0 110.644 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.482 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 67.3 m95 -63.85 109.95 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.674 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 78.6 tttt -82.2 128.15 33.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.81 120.87 23.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.331 0.586 . . . . 0.0 109.481 175.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -86.13 -67.33 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.077 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 t -157.95 171.31 20.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.545 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -76.79 143.58 39.74 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.529 HD12 HG21 ' A' ' 99' ' ' VAL . 14.2 tt -69.7 -7.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.36 0.6 . . . . 0.0 110.511 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.72 -19.81 61.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.607 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.12 -18.2 32.95 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.319 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mt -109.56 106.46 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.356 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 92.7 mt -73.39 167.86 30.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.565 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 48.2 Cg_endo -68.85 147.92 69.75 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 121.887 1.725 . . . . 0.0 111.717 175.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 63.45 30.62 15.3 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.952 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.5 p -132.4 163.96 27.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -136.62 143.46 14.84 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.017 178.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.23 177.69 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.006 0.431 . . . . 0.0 111.166 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.89 134.86 55.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.189 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.11 174.03 11.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.059 0.456 . . . . 0.0 111.164 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.51 125.99 42.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.488 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD12 ' HB2' ' A' ' 106' ' ' LEU . 8.8 tt -120.24 103.4 9.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.2 -105.53 1.52 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.777 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.59 -12.23 13.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -93.74 132.89 37.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.587 -174.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.454 ' HB3' HD21 ' A' ' 44' ' ' ASN . 51.1 mt-30 -81.18 140.45 34.96 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 106' ' ' LEU . 42.6 t -133.04 148.49 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 111.182 -174.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.689 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . . . -112.18 123.05 49.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.402 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.49 HD11 HD11 ' A' ' 106' ' ' LEU . 62.4 mt -106.59 119.88 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.114 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.455 ' CD1' ' HA3' ' A' ' 18' ' ' GLY . 97.6 m-85 -115.64 133.86 55.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.72 0.295 . . . . 0.0 110.808 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -108.76 99.79 36.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HB2' HD13 ' A' ' 66' ' ' LEU . 67.5 Cg_endo -98.24 7.15 1.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.348 2.699 . . . . 0.0 113.109 -177.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -123.98 164.14 19.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.965 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -84.67 -17.94 36.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 p -77.43 -165.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.469 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.54 30.98 3.01 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.086 0.47 . . . . 0.0 110.238 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -96.45 118.31 32.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.56 157.45 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.21 177.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -133.4 149.99 51.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -127.93 131.14 49.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.104 0.478 . . . . 0.0 111.584 -176.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.9 pt -130.76 179.16 4.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.851 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.9 m -69.35 118.12 11.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.689 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 31.8 p-10 -76.72 -30.69 56.76 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.7 mm -101.29 108.39 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.579 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -74.61 142.9 78.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.453 -175.077 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 87.2 Cg_endo -96.24 1.12 2.07 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.786 2.324 . . . . 0.0 114.088 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -91.49 -59.44 2.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.276 0.56 . . . . 0.0 110.131 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -94.3 -28.61 15.48 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 43.4 mt-10 68.34 69.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.036 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.8 p -105.59 -165.63 1.13 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.179 173.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.461 ' HB2' ' H ' ' A' ' 53' ' ' VAL . 1.8 p -92.59 -153.63 0.35 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.812 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.485 HG12 ' ND2' ' A' ' 44' ' ' ASN . 35.9 m -68.18 124.59 24.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.905 0.86 . . . . 0.0 112.002 -171.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 40.0 mt -75.88 -1.49 25.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.092 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -65.35 -15.24 62.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.15 0.5 . . . . 0.0 111.081 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -90.92 41.03 1.04 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.417 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.42 159.38 23.82 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.966 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.3 134.72 37.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.854 0.359 . . . . 0.0 111.277 -170.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -82.95 122.35 37.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.529 174.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.14 142.37 50.23 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.827 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -84.08 120.02 25.65 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -131.23 115.12 15.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.852 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 62.28 28.72 17.12 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.531 0.681 . . . . 0.0 110.828 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.88 -0.24 79.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.632 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -109.1 156.04 20.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.766 0.317 . . . . 0.0 110.2 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 33' ' ' PRO . 79.4 mt -97.69 104.26 16.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.978 0.418 . . . . 0.0 110.06 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -107.36 149.94 27.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.232 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ARG . 7.9 p -109.03 127.81 65.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -110.5 109.32 19.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.817 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.57 ' HB3' HD13 ' A' ' 72' ' ' LEU . 14.2 m -86.51 115.38 61.99 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.77 3.56 2.71 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.125 2.55 . . . . 0.0 112.986 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' ' 70' ' ' SER . 7.3 mp -61.34 -57.73 11.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.862 176.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 25.0 mmtp -141.91 28.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 64.18 32.44 12.54 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.999 174.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -86.25 133.03 33.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.976 0.417 . . . . 0.0 110.241 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.645 ' HD2' ' SD ' ' A' ' 85' ' ' MET . 34.8 mtt85 -118.89 129.59 55.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.348 -174.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' A' ' 54' ' ' LEU . 31.6 m-85 -126.33 136.97 53.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.426 -176.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -83.59 113.91 21.16 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.5 mt -58.54 -29.31 66.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 t -60.52 -58.0 10.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.654 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -114.52 -12.95 12.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.01 15.11 58.24 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.073 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 88' ' ' GLU . 10.1 tp -67.97 131.66 45.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.706 0.288 . . . . 0.0 110.521 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.806 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 77.0 m -84.51 138.43 32.78 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.645 ' SD ' ' HD2' ' A' ' 76' ' ' ARG . 25.2 ttt -59.62 -56.41 22.31 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -176.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -92.53 -20.03 21.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.499 0.666 . . . . 0.0 110.867 -175.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 84' ' ' CYS . 38.6 m-20 -106.79 10.5 30.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.204 -171.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.411 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.8 pt-20 -34.39 -38.65 0.07 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.442 ' HG3' ' CD2' ' A' ' 90' ' ' PHE . 22.3 pt20 -60.58 -27.63 67.85 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 89' ' ' GLN . 92.3 m-85 -106.98 -61.76 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.217 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.806 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 65.6 m 63.59 -172.37 0.17 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.464 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.0 m -109.67 176.4 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.358 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -88.96 112.75 23.71 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.13 134.31 34.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.204 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.55 144.18 34.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 107' ' ' ARG . 23.1 tt0 -82.67 125.41 31.19 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -175.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.75 139.8 46.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.86 0.362 . . . . 0.0 111.311 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.415 ' NH2' ' HD2' ' A' ' 100' ' ' LYS . 12.0 ttp180 -144.57 137.15 26.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.148 178.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.529 HG21 HD12 ' A' ' 10' ' ' ILE . 95.7 t -97.97 104.76 16.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.452 0.644 . . . . 0.0 110.262 177.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' HD2' ' NH2' ' A' ' 98' ' ' ARG . 75.4 tttt -96.64 106.89 19.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.809 -177.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.7 t70 60.59 20.26 10.14 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.754 0.788 . . . . 0.0 110.427 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.01 2.73 51.89 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.648 -178.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.9 t -108.33 128.88 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.113 0.457 . . . . 0.0 110.095 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.18 116.89 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.492 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 15.3 mt-30 -113.93 146.38 40.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.49 HD11 HD11 ' A' ' 30' ' ' ILE . 82.2 mt -122.69 135.08 54.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.631 179.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.738 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 17.3 ttp85 -107.26 116.81 32.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.313 176.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -142.92 -149.56 5.15 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.364 176.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 83.25 7.21 87.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.238 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.248 0.986 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.317 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.771 0.319 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.402 ' HB2' ' CD1' ' A' ' 4' ' ' TRP . 13.4 p 47.69 82.76 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -77.91 93.53 4.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.186 171.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.402 ' CD1' ' HB2' ' A' ' 2' ' ' SER . 90.8 m95 -91.75 119.25 31.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.196 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -97.22 119.65 36.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.692 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.467 ' CG ' HE21 ' A' ' 105' ' ' GLN . 7.1 m-20 -69.21 103.32 1.9 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.755 174.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -74.48 -77.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.549 0.69 . . . . 0.0 110.681 -177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.9 m -151.84 177.38 10.48 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 9' ' ' LYS . 47.1 mtmt -80.09 147.18 31.53 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.272 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 99' ' ' VAL . 19.5 tt -67.12 -13.76 17.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.62 0.724 . . . . 0.0 109.928 178.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.04 -18.05 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.724 174.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -86.68 -7.68 58.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.434 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.4 mt -114.17 134.85 55.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.295 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 90.9 mt -97.78 169.11 8.96 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.583 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 38.7 Cg_exo -58.58 130.13 35.75 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.301 2.001 . . . . 0.0 112.363 175.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 57.17 53.01 8.23 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.743 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.9 p -135.92 174.98 10.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.709 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.542 ' O ' ' HB3' ' A' ' 55' ' ' SER . . . -141.12 137.19 7.99 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -118.64 177.83 2.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.661 0.267 . . . . 0.0 110.821 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.2 p -121.66 127.34 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.725 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.65 170.53 10.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.493 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 mt -112.11 121.33 44.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.866 0.365 . . . . 0.0 110.584 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 tt -124.18 111.68 16.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.05 -96.19 0.77 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.595 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -129.6 -5.82 4.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -114.72 164.77 13.59 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.922 -175.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -86.84 134.35 33.55 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.999 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.8 t -118.23 131.67 70.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.594 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.37 118.77 29.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.246 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.535 HD11 HD11 ' A' ' 106' ' ' LEU . 62.5 mt -104.38 108.87 25.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.615 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -101.87 132.32 47.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.987 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -111.0 99.96 44.89 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.551 ' HB2' HD13 ' A' ' 66' ' ' LEU . 87.2 Cg_endo -95.36 1.69 2.45 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.714 2.942 . . . . 0.0 113.243 -177.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.27 159.66 23.68 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.995 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.22 -12.66 59.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 173.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 p -92.24 -154.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.026 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.15 -24.24 30.28 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -57.5 122.95 13.88 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -172.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.17 162.41 33.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.333 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -134.32 152.93 52.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.224 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.36 129.02 36.87 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.226 0.536 . . . . 0.0 111.837 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 pt -132.21 171.03 18.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' A' ' 93' ' ' LYS . 5.9 t -62.08 132.99 54.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.544 HD21 HG12 ' A' ' 53' ' ' VAL . 66.9 t30 -83.31 -12.89 56.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.04 0.448 . . . . 0.0 110.869 -173.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 51' ' ' SER . 31.8 mm -103.31 113.0 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 -177.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.536 ' HB2' HD21 ' A' ' 54' ' ' LEU . 10.8 t70 -72.31 124.96 91.51 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 173.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.48 -32.36 4.92 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.422 2.081 . . . . 0.0 113.932 -174.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -91.53 -44.04 9.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.878 0.37 . . . . 0.0 111.551 -173.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -89.54 -21.57 22.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.691 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 41.0 tt0 61.81 90.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.745 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 32.7 t -131.89 135.33 46.58 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.063 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -71.16 -33.87 70.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.856 0.36 . . . . 0.0 110.555 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.544 HG12 HD21 ' A' ' 44' ' ' ASN . 11.3 m -128.79 124.41 61.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.797 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 46' ' ' ASP . 87.4 mt -92.51 -1.72 56.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.66 0.743 . . . . 0.0 109.196 168.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.542 ' HB3' ' O ' ' A' ' 18' ' ' GLY . 1.4 m -69.06 -3.64 13.95 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.852 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -90.74 40.79 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.448 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.57 162.57 24.65 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.888 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.702 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.0 pt? -102.97 155.21 18.52 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 33' ' ' PRO . 63.4 mt -109.68 122.52 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.919 0.39 . . . . 0.0 110.704 -175.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.77 154.35 20.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.689 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.22 137.73 51.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.529 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -130.52 79.66 1.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.097 173.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.51 28.51 11.45 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.286 172.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.59 -19.28 9.81 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.583 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.52 ' OE2' ' HD2' ' A' ' 78' ' ' ARG . 8.2 tp10 -92.65 138.61 31.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 33' ' ' PRO . 88.6 mt -114.9 123.89 50.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.2 0.524 . . . . 0.0 111.238 -173.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -120.81 129.57 53.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.282 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 8.6 p -96.49 125.25 49.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -111.69 113.79 26.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.605 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.7 m -93.73 110.84 49.85 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.257 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.07 -10.31 17.48 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.363 2.708 . . . . 0.0 112.946 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.8 mp -59.83 -34.23 72.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 21.6 tttm -147.27 10.23 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 12.8 ttpp 63.39 36.83 11.21 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.246 1.022 . . . . 0.0 108.463 -173.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -80.06 123.67 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.844 -174.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.653 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 74.4 mtt180 -114.75 114.38 25.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.544 -175.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 84' ' ' CYS . 88.9 m-85 -116.68 131.52 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.799 176.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.52 ' HD2' ' OE2' ' A' ' 65' ' ' GLU . 20.1 ttp85 -80.97 116.06 20.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.3 -17.66 64.33 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -171.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -60.61 -23.98 65.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.84 -69.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.163 0.506 . . . . 0.0 110.208 174.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.58 33.88 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.9 tp -85.45 110.94 19.52 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.535 -0.333 . . . . 0.0 110.537 -176.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.653 ' HA ' ' O ' ' A' ' 76' ' ' ARG . 49.0 t -84.98 134.22 34.24 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 82.6 mtp -62.91 -25.54 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.945 0.402 . . . . 0.0 111.189 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -93.1 -41.58 9.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.336 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 37.8 t70 -92.04 10.6 28.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.898 0.38 . . . . 0.0 111.13 -176.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -53.05 -6.82 0.06 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -61.36 -38.05 85.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 122.416 0.286 . . . . 0.0 110.379 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -140.33 -33.29 0.57 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.0 m 72.55 178.91 0.23 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.62 0.575 . . . . 0.0 111.479 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.6 m -101.41 -175.68 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.248 0.547 . . . . 0.0 112.3 -174.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 15.9 tptm -77.92 123.16 26.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.545 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -101.76 139.25 37.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.689 0.28 . . . . 0.0 110.714 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.61 152.63 40.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.817 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.558 ' HG3' ' NH2' ' A' ' 107' ' ' ARG . 30.9 mm-40 -84.06 131.95 34.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.42 135.18 47.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 -177.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -145.67 158.79 43.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 10' ' ' ILE . 40.6 t -110.81 102.67 14.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.21 0.529 . . . . 0.0 110.403 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.524 ' HD3' ' NE2' ' A' ' 105' ' ' GLN . 1.9 ttpm? -86.56 105.63 16.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.074 -178.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 48.94 29.28 2.29 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.196 0.935 . . . . 0.0 112.464 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.88 -11.78 34.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.748 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.3 t -100.15 124.4 53.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.36 123.41 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.524 ' NE2' ' HD3' ' A' ' 100' ' ' LYS . 78.7 mt-30 -117.22 138.74 51.5 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.722 0.296 . . . . 0.0 110.642 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.535 HD11 HD11 ' A' ' 30' ' ' ILE . 76.3 mt -118.85 142.63 47.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.322 177.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.558 ' NH2' ' HG3' ' A' ' 96' ' ' GLU . 17.6 ttp180 -123.65 111.24 15.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.945 174.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -129.67 82.82 0.33 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.622 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.79 -135.14 7.36 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.346 177.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 121.541 0.686 . . . . 0.0 110.484 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -74.33 92.4 2.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.982 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -83.03 128.07 34.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.708 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.32 127.02 31.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.571 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.402 HD12 ' HB1' ' A' ' 21' ' ' ALA . 47.2 mm -99.87 -67.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.061 0.458 . . . . 0.0 110.047 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.6 p -166.78 174.08 8.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.769 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 60.8 mttp -78.61 143.73 36.13 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.101 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 99' ' ' VAL . 17.3 tt -63.38 -13.4 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.515 -174.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.21 -29.14 69.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.37 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -71.84 -30.36 65.38 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.638 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.1 mt -90.42 107.89 18.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.094 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.29 158.79 44.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.106 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.23 134.02 43.2 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.122 2.548 . . . . 0.0 112.292 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.746 ' HA ' ' O ' ' A' ' 32' ' ' ARG . 1.8 pm0 36.99 68.99 0.23 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.248 0.968 . . . . 0.0 112.774 -172.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -140.15 157.9 44.89 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.609 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.5 140.81 12.51 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.233 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.51 157.73 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.542 0.21 . . . . 0.0 110.586 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -98.8 131.09 45.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 0.0 110.814 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' A' ' 7' ' ' ILE . . . -120.84 175.48 6.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.84 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.7 mt -125.01 117.51 24.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.817 0.341 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.1 tp -108.2 86.35 2.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 172.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.57 -103.19 1.39 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.118 -172.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -114.59 4.28 15.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.151 0.501 . . . . 0.0 110.174 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -90.6 117.64 29.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.665 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -79.94 103.97 10.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t -98.95 135.44 33.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.507 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -96.9 110.14 22.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.974 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.468 HD11 HD11 ' A' ' 106' ' ' LEU . 58.1 mt -92.0 108.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.741 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.465 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 88.3 m-85 -105.39 118.59 36.96 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.61 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.746 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 75.8 ttt180 -97.61 100.04 7.58 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 168.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HB2' HD13 ' A' ' 66' ' ' LEU . 68.0 Cg_endo -90.47 7.05 3.84 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.83 2.354 . . . . 0.0 113.439 -171.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.479 ' CZ ' HD11 ' A' ' 66' ' ' LEU . 66.6 m-85 -140.64 -168.81 2.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.262 0.553 . . . . 0.0 110.675 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -100.89 -15.98 17.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.57 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m -83.38 -164.82 0.95 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.026 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -84.5 9.71 12.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.588 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.561 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 73.1 mt-30 -82.32 111.99 18.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.613 -177.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 m -132.39 150.32 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.185 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -132.22 153.31 50.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.204 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.13 125.92 30.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 111.474 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.1 pt -131.48 -177.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.721 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 93' ' ' LYS . 22.0 t -65.97 132.5 48.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.519 HD21 HG12 ' A' ' 53' ' ' VAL . 13.7 t30 -81.88 -11.69 58.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 0.0 110.561 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.1 mt -123.77 134.29 66.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.598 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -93.55 148.44 35.48 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.49 -10.05 3.29 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.451 2.1 . . . . 0.0 114.346 -173.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -91.42 -56.21 3.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.005 0.431 . . . . 0.0 111.1 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 40.6 t80 -101.18 -27.6 13.13 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.374 -174.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 70.89 81.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.763 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.1 m -101.96 113.89 27.52 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 167.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -57.76 -36.45 72.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.931 -171.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.519 HG12 HD21 ' A' ' 44' ' ' ASN . 6.9 m -129.11 124.1 59.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.86 173.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 43' ' ' SER . 79.2 mt -91.93 -10.87 37.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.373 0.606 . . . . 0.0 109.514 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 m -74.86 1.8 11.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.662 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -103.97 40.56 1.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.472 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.89 164.65 24.72 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.0 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.92 140.45 37.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.898 0.38 . . . . 0.0 110.625 -175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -86.63 126.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.159 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.48 146.52 38.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.507 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -85.2 152.83 23.05 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.45 0.643 . . . . 0.0 112.082 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -163.98 129.72 3.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.2 165.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 72.97 7.02 5.41 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.88 0.737 . . . . 0.0 111.165 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.52 9.93 64.17 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.236 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -114.42 159.31 20.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.567 HD13 ' HB2' ' A' ' 33' ' ' PRO . 39.3 mt -99.39 119.13 37.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.893 0.378 . . . . 0.0 110.54 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -117.59 134.18 55.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.817 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.7 p -96.43 119.98 45.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.59 122.54 43.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.748 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.459 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 15.9 m -86.17 115.41 61.84 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.083 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.472 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 21.0 Cg_exo -65.9 -6.95 15.38 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.488 2.792 . . . . 0.0 112.905 -175.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' H ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -61.98 -38.68 89.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.859 175.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.6 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -144.96 -113.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.93 176.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -140.71 25.14 2.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.718 0.294 . . . . 0.0 110.82 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -68.96 126.38 29.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.642 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -124.54 118.29 26.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.103 0.478 . . . . 0.0 110.55 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 84' ' ' CYS . 63.1 m-85 -107.36 120.69 42.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.542 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HD3' ' HB3' ' A' ' 83' ' ' LEU . 70.1 ttt180 -71.75 117.69 13.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.182 176.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.96 -17.06 59.88 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -171.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.85 -39.21 68.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.943 0.401 . . . . 0.0 111.485 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -144.15 -57.88 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.52 37.96 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 119.963 -1.113 . . . . 0.0 112.61 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.43 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 22.7 tp -88.91 99.42 12.39 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.881 0.372 . . . . 0.0 110.467 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.536 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 38.4 t -77.86 124.84 28.49 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 170.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -64.65 -15.69 61.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.196 0.522 . . . . 0.0 111.23 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -92.56 -29.62 16.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.519 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 21.4 t70 -107.04 10.42 30.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.047 -172.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' OE2' ' HG2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -49.97 -15.23 0.18 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -172.283 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG2' ' OE2' ' A' ' 88' ' ' GLU . 84.4 mm-40 -67.84 -38.99 83.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -110.12 -47.65 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.458 -174.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 m 76.83 144.36 0.08 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.774 0.83 . . . . 0.0 110.534 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.4 m -90.9 169.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.462 0.649 . . . . 0.0 112.429 -170.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 20.0 tptm -63.46 129.33 39.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.829 -178.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -118.44 133.99 55.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -118.5 154.28 32.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -91.23 134.33 34.65 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.761 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.59 130.11 49.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.891 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -131.6 151.73 51.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.207 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.423 HG21 HD12 ' A' ' 10' ' ' ILE . 61.3 t -99.6 97.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.035 175.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -101.74 113.89 27.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.363 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 61.18 24.82 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.218 0.532 . . . . 0.0 110.231 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.86 9.13 78.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.501 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 40.0 t -112.49 130.6 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.93 0.365 . . . . 0.0 110.245 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.9 t -76.99 121.12 28.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.23 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -118.98 142.99 47.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.508 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 30' ' ' ILE . 82.9 mt -114.59 138.94 50.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.573 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.409 ' HD2' HH11 ' A' ' 107' ' ' ARG . 19.6 ttp85 -120.54 132.35 55.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.885 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 176.896 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 120.705 0.288 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 96.5 m95 -56.08 115.52 2.47 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.794 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -112.25 122.56 48.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.595 178.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.52 ' HB2' HG11 ' A' ' 103' ' ' VAL . 5.6 p-10 -72.65 127.47 32.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.467 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.1 mm -102.16 -73.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.338 0.589 . . . . 0.0 110.771 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 80.9 m -143.35 177.7 8.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.021 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 35.6 mtmm -84.28 155.07 22.6 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.944 0.402 . . . . 0.0 110.743 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.412 HD11 ' HD2' ' A' ' 32' ' ' ARG . 9.9 tp -68.8 -20.17 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.594 0.712 . . . . 0.0 110.008 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.27 -14.62 63.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.72 -33.06 20.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.156 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -94.71 115.11 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.474 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.9 164.65 51.94 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.321 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.57 135.63 71.47 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.533 2.156 . . . . 0.0 112.54 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 62.17 37.4 14.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.045 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -124.1 142.95 50.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.612 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.77 137.13 12.58 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.88 161.3 20.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.845 0.355 . . . . 0.0 110.983 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.2 m -101.13 119.97 39.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.534 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.55 172.2 9.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.541 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.0 mt -125.82 135.12 51.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.644 0.259 . . . . 0.0 110.573 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.0 tp -131.12 113.88 14.44 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.75 -100.68 0.57 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.28 -174.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.68 -4.69 7.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.294 0.109 . . . . 0.0 111.294 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -102.83 149.45 24.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.986 0.422 . . . . 0.0 110.807 -173.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' HB2' HG12 ' A' ' 45' ' ' ILE . 24.2 mp0 -85.19 125.2 32.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.748 177.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.7 t -115.04 131.31 67.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.825 0.345 . . . . 0.0 110.412 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' N ' ' HB2' ' A' ' 44' ' ' ASN . . . -97.68 118.88 35.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.844 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.4 mt -103.79 112.44 37.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.428 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 97.9 m-85 -106.86 129.09 54.75 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.514 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HD2' HD11 ' A' ' 10' ' ' ILE . 76.2 ttt180 -107.96 100.08 34.12 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 172.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HB2' HD13 ' A' ' 66' ' ' LEU . 7.0 Cg_endo -86.63 -31.04 0.3 Allowed 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.291 2.661 . . . . 0.0 112.711 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -90.63 163.38 14.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 0.0 110.685 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -88.58 -5.22 58.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.241 176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.8 p -91.3 -158.12 0.54 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.227 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.442 ' HB2' ' HB ' ' A' ' 99' ' ' VAL . 8.6 p-10 -91.42 6.18 46.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.934 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -78.67 110.89 14.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.185 0.517 . . . . 0.0 111.209 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.4 158.23 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.373 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -132.81 146.93 52.24 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -131.71 136.78 47.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 0.0 111.361 -177.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.6 pt -136.44 177.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.085 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 93' ' ' LYS . 14.3 p -65.18 124.07 21.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.426 ' HB2' ' N ' ' A' ' 29' ' ' ALA . 65.3 t30 -85.67 3.38 41.25 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -174.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' A' ' 27' ' ' GLN . 40.4 mm -127.45 117.67 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -81.34 120.65 78.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 121.178 0.513 . . . . 0.0 110.045 174.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 14.4 Cg_endo -91.96 -6.59 3.41 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.331 2.687 . . . . 0.0 113.479 -177.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -91.48 -54.21 4.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.962 0.411 . . . . 0.0 110.595 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' ' HD2' ' A' ' 73' ' ' LYS . 90.9 t80 -92.07 -16.54 26.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 52.5 mt-10 65.97 50.72 1.44 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.568 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.417 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 32.1 t -102.4 129.34 48.85 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 169.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.2 m -76.44 -107.72 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.06 124.46 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.496 0.665 . . . . 0.0 112.465 -170.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.0 mt -89.65 -3.36 58.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.061 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -62.35 -21.6 65.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.924 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -88.18 40.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.395 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.495 ' HA2' ' HD2' ' A' ' 71' ' ' PRO . . . -134.37 162.83 24.63 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.879 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.52 141.27 32.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.911 0.386 . . . . 0.0 110.927 -174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 33' ' ' PRO . 59.4 mt -99.11 125.13 52.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.205 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.0 163.72 28.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 0.0 111.113 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.02 119.18 38.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -90.39 -70.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.647 0.26 . . . . 0.0 110.625 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.56 83.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.068 0.461 . . . . 0.0 110.221 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.93 80.82 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.755 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -148.68 149.12 30.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.242 0.544 . . . . 0.0 111.0 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.583 HD13 ' HB2' ' A' ' 33' ' ' PRO . 20.4 mt -97.33 122.69 40.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.758 -175.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 45.2 m95 -120.71 136.18 54.93 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.803 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 77' ' ' PHE . 7.0 p -102.08 113.96 40.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.452 0.644 . . . . 0.0 109.916 176.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.04 114.27 26.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.187 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.0 m -86.8 115.01 60.93 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.229 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.495 ' HD2' ' HA2' ' A' ' 57' ' ' GLY . 43.6 Cg_endo -67.86 0.01 4.86 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.049 2.499 . . . . 0.0 112.033 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' HE3' ' A' ' 73' ' ' LYS . 70.2 mt -58.97 -37.6 77.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.907 174.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.709 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -151.41 -103.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.869 174.746 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' H ' ' HB3' ' A' ' 73' ' ' LYS . 54.2 mtmt -145.16 27.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.419 0.628 . . . . 0.0 109.855 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.488 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 7.3 mp0 -83.1 112.57 19.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.484 -177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.627 ' HD3' ' HB3' ' A' ' 85' ' ' MET . 0.0 OUTLIER -106.78 112.26 25.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 75' ' ' GLN . 93.5 m-85 -100.8 134.73 43.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.369 0.604 . . . . 0.0 111.306 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.889 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 67.6 ttt180 -82.98 111.61 18.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.39 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -27.68 61.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.947 0.403 . . . . 0.0 111.195 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p -79.98 -9.2 59.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.233 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.889 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 8.4 t70 -149.94 -62.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -175.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.416 ' H ' ' HB3' ' A' ' 78' ' ' ARG . . . 138.41 -17.95 3.29 Favored Glycine 0 C--N 1.323 -0.182 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.348 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.458 HD12 ' OG ' ' A' ' 91' ' ' SER . 14.3 tp -52.92 125.41 16.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.436 -0.382 . . . . 0.0 111.289 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.23 134.18 34.15 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.627 ' HB3' ' HD3' ' A' ' 76' ' ' ARG . 15.2 ttt -64.58 -32.62 74.35 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.3 -175.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.42 -48.83 6.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.534 0.683 . . . . 0.0 110.494 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -88.42 10.74 19.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.741 -173.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.74 -32.36 0.06 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -60.92 -28.33 68.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.138 0.494 . . . . 0.0 110.575 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -105.71 -65.41 1.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.444 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.458 ' OG ' HD12 ' A' ' 83' ' ' LEU . 62.6 m 69.47 149.47 0.08 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.028 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.471 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 17.3 m -92.96 -169.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.957 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 85.0 tttt -95.29 139.7 31.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.68 -173.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -120.69 135.32 55.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.961 0.41 . . . . 0.0 110.824 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -112.91 160.88 17.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.814 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.88 124.68 45.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 174.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.74 147.08 45.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.984 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.553 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 9.2 ptm85 -148.5 162.79 38.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.344 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 37' ' ' ASP . 98.2 t -104.79 113.74 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.962 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -124.07 125.01 43.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.989 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 63.85 17.99 10.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.392 0.615 . . . . 0.0 109.6 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.8 16.53 67.76 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.727 -174.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 6' ' ' ASP . 65.6 t -121.97 134.89 63.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.767 0.317 . . . . 0.0 110.634 -175.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.33 122.51 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 79.0 mt-30 -117.59 144.04 45.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.094 177.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.5 mt -113.47 136.36 52.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.402 ' HD3' ' CE2' ' A' ' 4' ' ' TRP . 37.1 ttp180 -120.33 119.97 34.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.905 173.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.133 179.074 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 3' ' ' GLN . 17.9 mt-30 . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.416 ' NE1' ' HD3' ' A' ' 107' ' ' ARG . 85.1 m95 -87.1 99.2 11.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.33 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -79.78 129.65 34.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.204 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.502 ' HB2' HG11 ' A' ' 103' ' ' VAL . 7.8 p-10 -80.64 126.73 31.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.189 0.519 . . . . 0.0 109.705 174.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -93.01 -69.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.163 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -154.53 167.23 30.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.394 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -67.15 150.99 48.38 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 tp -58.98 -21.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 111.074 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.16 -19.7 63.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.461 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.94 -27.56 60.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.632 HD12 HG21 ' A' ' 104' ' ' VAL . 20.4 mt -111.65 100.41 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.011 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.17 162.47 69.13 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.241 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.53 147.64 90.71 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.248 1.965 . . . . 0.0 111.761 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 63.44 25.76 14.64 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 123.594 0.559 . . . . 0.0 110.699 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.4 m -122.96 145.62 48.32 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.915 0.388 . . . . 0.0 111.751 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.38 131.09 7.98 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.156 -0.545 . . . . 0.0 111.884 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 m -118.94 175.83 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.836 0.351 . . . . 0.0 110.79 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 p -121.11 140.41 52.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.13 -177.31 5.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.498 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.4 tt -130.56 127.9 40.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 106' ' ' LEU . 57.5 tp -127.39 111.85 14.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.113 0.483 . . . . 0.0 110.322 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.94 -93.59 1.29 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.102 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -126.1 -25.95 3.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.739 0.304 . . . . 0.0 110.933 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.18 167.26 9.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.197 0.522 . . . . 0.0 111.385 -170.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -92.57 131.46 37.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.542 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.402 HG21 ' HB3' ' A' ' 23' ' ' LEU . 52.4 t -115.83 138.07 47.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.501 -176.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -102.25 120.18 40.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.773 177.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 106' ' ' LEU . 52.2 mt -106.14 114.88 46.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.16 -177.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.16 130.13 55.73 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.768 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -112.85 99.6 48.65 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.43 -40.68 0.32 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.029 2.486 . . . . 0.0 112.372 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CE1' HD11 ' A' ' 66' ' ' LEU . 93.3 m-85 -90.14 161.5 15.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.182 0.515 . . . . 0.0 111.553 -172.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -78.06 -11.25 59.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.348 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.4 m -86.44 -166.63 1.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.772 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -92.24 30.29 1.49 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -97.03 110.77 23.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.788 0.327 . . . . 0.0 110.602 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 m -122.11 150.55 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.491 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.58 139.1 52.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.053 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.18 127.31 46.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.966 0.413 . . . . 0.0 111.489 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.28 -176.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.957 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.511 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 15.2 m -68.84 139.77 55.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.516 HD21 HG12 ' A' ' 53' ' ' VAL . 66.6 t30 -87.37 -1.53 57.98 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -172.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.0 mt -113.82 128.11 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.034 0.445 . . . . 0.0 111.873 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.716 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.6 OUTLIER -88.42 128.26 53.75 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.511 174.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -86.63 -7.96 7.33 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.873 2.382 . . . . 0.0 113.838 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 87' ' ' ASP . 75.8 m-85 -80.12 -60.8 2.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 0.0 111.466 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 73' ' ' LYS . 99.1 m-85 -112.59 10.65 19.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.965 0.412 . . . . 0.0 110.417 -175.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 61.37 73.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.066 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.716 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 15.3 m -102.42 116.39 32.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.525 -0.761 . . . . 0.0 108.994 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 p -71.45 -31.34 67.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.312 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.516 HG12 HD21 ' A' ' 44' ' ' ASN . 14.8 m -128.43 124.61 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.114 0.483 . . . . 0.0 111.082 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 46' ' ' ASP . 74.6 mt -90.77 -8.22 50.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.52 . . . . 0.0 109.683 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -64.56 -15.72 61.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.145 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -91.61 39.37 1.0 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.479 0.656 . . . . 0.0 110.008 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.468 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.81 158.74 23.64 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.832 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.755 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.5 pt? -98.63 145.94 26.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.7 mt -92.96 109.67 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.322 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -119.08 122.21 41.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.554 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -73.88 130.28 39.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.021 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.658 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 36.9 m80 -135.07 117.07 15.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.601 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 62.93 21.8 13.08 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.842 0.714 . . . . 0.0 111.763 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.8 -16.43 56.08 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.705 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -100.34 149.43 23.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.682 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.401 HD11 ' CE1' ' A' ' 34' ' ' TYR . 79.7 mt -90.16 108.53 19.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.441 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.658 ' CD1' ' HB2' ' A' ' 62' ' ' HIS . 76.0 m95 -109.93 130.73 55.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.084 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.1 p -96.6 124.6 49.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 174.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -103.06 123.01 45.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.618 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.454 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 14.6 m -85.49 111.63 38.37 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.437 178.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 11.9 Cg_exo -71.89 -0.45 8.46 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.491 2.794 . . . . 0.0 112.75 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' H ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -62.43 -32.52 73.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 39.8 tptt -150.81 -75.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 172.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 73' ' ' LYS . 3.6 tppp? 169.98 71.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.167 0 O-C-N 124.117 0.886 . . . . 0.0 109.855 171.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -100.57 144.32 29.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -121.53 115.4 22.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.17 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.413 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 87.7 m-85 -115.97 136.45 53.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.808 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 53.4 ttt180 -93.09 101.74 14.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.281 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.92 -37.57 87.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.835 -173.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 m -56.16 -35.14 66.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.649 -172.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -126.96 -23.93 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.894 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.76 ' HA3' ' HB2' ' A' ' 94' ' ' HIS . . . 105.14 -0.13 41.09 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.091 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.458 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 21.5 tp -70.34 150.35 46.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 52.8 t -105.87 146.0 30.5 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 170.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.423 ' HB3' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -66.95 -56.62 9.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.88 0.372 . . . . 0.0 110.741 -176.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.423 ' OE1' ' HB3' ' A' ' 85' ' ' MET . 2.1 mp0 -79.73 -31.01 41.05 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 3.8 t70 -95.02 10.78 34.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.616 0.246 . . . . 0.0 110.996 -175.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -40.38 -27.73 0.05 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -53.43 -45.94 69.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.207 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -124.35 -56.26 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.583 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.1 m 68.24 -173.35 0.19 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.996 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 43' ' ' SER . 26.9 m -95.02 174.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.074 -176.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -89.6 118.95 29.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.76 ' HB2' ' HA3' ' A' ' 82' ' ' GLY . 53.9 t-80 -90.91 126.08 35.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.661 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CD2' HD23 ' A' ' 23' ' ' LEU . 84.4 m-85 -96.48 166.42 11.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.66 0.267 . . . . 0.0 110.415 -178.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 37.2 mt-10 -90.9 115.82 28.24 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.57 150.61 47.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.817 0.341 . . . . 0.0 111.741 -174.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -165.82 170.91 13.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.422 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.6 t -104.69 110.88 32.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.991 0.424 . . . . 0.0 110.192 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.571 ' CB ' ' HG3' ' A' ' 105' ' ' GLN . 21.6 ttpp -106.45 116.23 31.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.078 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.457 ' OD2' ' HG2' ' A' ' 100' ' ' LYS . 15.7 m-20 63.95 17.65 10.7 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.424 0.452 . . . . 0.0 110.837 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.73 12.35 60.86 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.068 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.502 HG11 ' HB2' ' A' ' 6' ' ' ASP . 59.3 t -116.58 137.6 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.632 HG21 HD12 ' A' ' 13' ' ' ILE . 47.1 t -74.25 120.91 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.788 0.328 . . . . 0.0 110.351 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HG3' ' CB ' ' A' ' 100' ' ' LYS . 4.7 mm100 -117.29 136.61 52.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.519 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 30' ' ' ILE . 77.4 mt -122.45 128.59 51.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.271 0.357 . . . . 0.0 110.596 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' HD3' ' NE1' ' A' ' 4' ' ' TRP . 18.5 ttp180 -110.14 120.03 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.428 0.632 . . . . 0.0 110.445 173.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.903 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.72 174.865 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 88.6 m95 -52.29 109.03 0.34 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.204 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.491 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -78.33 112.0 14.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.101 -175.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.95 111.88 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 170.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.1 mm -88.75 -76.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.237 0.541 . . . . 0.0 110.392 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.9 m -150.47 173.24 14.29 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 94.6 mttt -79.54 142.82 35.4 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.838 0.352 . . . . 0.0 110.302 178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 ' HD2' ' A' ' 32' ' ' ARG . 10.1 tp -71.76 -6.7 7.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.683 0.754 . . . . 0.0 109.936 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.84 -26.42 65.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.216 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.51 -44.88 16.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.359 0.6 . . . . 0.0 110.608 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.406 ' HB ' HD12 ' A' ' 10' ' ' ILE . 44.5 mt -77.25 106.0 6.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.501 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.64 165.22 47.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.69 145.25 98.63 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.282 1.988 . . . . 0.0 111.818 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.43 26.85 15.05 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.109 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -118.77 138.18 52.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.952 0.405 . . . . 0.0 111.421 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -118.82 136.69 12.26 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -121.74 166.61 16.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.647 0.261 . . . . 0.0 110.972 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.9 m -112.33 108.4 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.021 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.53 -179.38 3.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 23' ' ' LEU . 2.4 tt -123.05 126.82 47.83 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 22' ' ' LEU . 7.6 tt -124.22 100.86 6.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.27 -87.31 0.4 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.96 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -126.55 -23.78 3.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.96 0.41 . . . . 0.0 110.756 177.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -90.61 158.94 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -103.26 124.31 48.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.505 0.669 . . . . 0.0 110.356 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.5 t -109.71 135.81 47.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.694 -174.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -92.82 115.88 28.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.607 176.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.423 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 61.8 mt -102.73 119.8 51.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.793 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.437 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 99.4 m-85 -112.33 123.08 49.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HD2' HD11 ' A' ' 10' ' ' ILE . 72.1 ttt180 -100.64 100.22 11.93 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 169.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.49 ' HB2' HD13 ' A' ' 66' ' ' LEU . 72.7 Cg_endo -87.16 -31.19 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.831 2.354 . . . . 0.0 113.299 -175.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.89 175.04 5.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.801 0.334 . . . . 0.0 110.386 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -86.72 -19.35 29.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 t -82.16 -165.3 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.101 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.545 ' HB2' HG21 ' A' ' 99' ' ' VAL . 5.9 p-10 -92.16 17.32 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.08 0.467 . . . . 0.0 111.335 -176.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.429 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 6.9 tp60 -80.91 107.62 13.88 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.6 m -127.01 163.55 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 111.418 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -136.06 153.04 51.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.706 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.43 130.46 23.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.955 0.407 . . . . 0.0 111.304 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 94' ' ' HIS . 6.4 pt -140.59 176.55 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.417 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.596 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 15.0 p -60.56 125.33 23.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.476 0.179 . . . . 0.0 111.085 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 54.1 t30 -68.91 -42.13 77.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.042 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 51' ' ' SER . 60.5 mt -88.72 113.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.91 0.386 . . . . 0.0 110.605 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.709 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER -69.88 120.06 75.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.362 173.042 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 84.1 Cg_endo -86.84 -7.39 7.33 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.996 2.464 . . . . 0.0 113.629 -173.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -91.47 -56.07 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.839 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -95.82 -9.06 32.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.079 0.466 . . . . 0.0 110.041 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 68.11 73.73 0.29 Allowed 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.948 -175.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.709 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 17.4 m -107.41 114.01 27.74 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -69.95 -29.54 66.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 t -125.14 123.83 66.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.853 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 44' ' ' ASN . 15.9 tp -92.34 -23.51 19.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -68.46 -9.17 47.0 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.028 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 17.2 ttm180 -90.03 40.9 1.02 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.418 0.628 . . . . 0.0 110.043 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.79 164.64 24.69 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.914 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 pp -107.95 151.53 25.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.856 0.36 . . . . 0.0 110.949 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.1 mt -94.77 115.01 32.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.17 143.46 45.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 168.24 18.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.071 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.591 ' HD2' ' HG2' ' A' ' 63' ' ' GLN . 56.8 t60 -139.71 -56.56 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.632 0.253 . . . . 0.0 110.376 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.591 ' HG2' ' HD2' ' A' ' 62' ' ' HIS . 4.1 pt20 -168.18 31.78 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.358 0.599 . . . . 0.0 110.005 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.23 30.74 2.4 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -138.72 151.41 47.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -174.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 33' ' ' PRO . 71.5 mt -111.59 101.95 10.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.258 0.551 . . . . 0.0 110.296 176.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.555 ' HB2' HH21 ' A' ' 76' ' ' ARG . 76.7 m95 -102.66 137.08 41.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.867 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.62 119.5 44.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.95 121.84 43.37 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.787 -176.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.452 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 45.5 t -82.52 109.86 18.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.757 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 14.4 Cg_exo -69.59 -8.01 22.48 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.209 2.606 . . . . 0.0 112.005 -177.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.91 -27.41 68.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.745 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -138.07 -92.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.371 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -176.11 22.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.016 0.526 . . . . 0.0 109.806 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -82.28 128.01 33.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.243 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.555 HH21 ' HB2' ' A' ' 67' ' ' TRP . 25.6 mtp180 -112.87 123.84 51.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.931 0.396 . . . . 0.0 110.264 177.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -111.41 143.46 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.434 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -89.2 114.37 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.5 mt -54.53 -32.04 57.43 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -171.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.9 p -65.52 -41.11 93.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -173.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -109.41 -16.82 13.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.741 0.305 . . . . 0.0 111.414 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 91' ' ' SER . . . 73.5 26.68 69.31 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -169.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 88' ' ' GLU . 5.0 tp -90.09 136.33 33.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.799 -0.701 . . . . 0.0 110.523 -174.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 87' ' ' ASP . 24.0 t -86.31 147.76 25.92 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ttt -57.02 -67.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -92.42 -18.47 23.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.476 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 13.1 m-20 -95.77 10.8 35.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.269 -174.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.481 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.0 pt-20 -33.89 -41.65 0.1 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -170.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -66.56 -31.91 72.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.904 0.775 . . . . 0.0 111.224 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -107.3 42.09 1.38 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.492 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' A' ' 82' ' ' GLY . 73.1 m -71.65 178.02 3.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.068 0.461 . . . . 0.0 111.919 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.596 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 35.4 m -91.02 -175.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.432 -174.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 45.0 tttp -88.59 124.58 34.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.259 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.543 ' HA ' HG22 ' A' ' 42' ' ' ILE . 21.9 t-80 -107.53 128.84 54.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 111.108 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.456 ' OH ' ' HD3' ' A' ' 93' ' ' LYS . 83.0 m-85 -107.26 167.26 10.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.077 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -95.38 132.11 40.78 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.88 147.38 47.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.892 0.377 . . . . 0.0 111.619 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -155.43 157.57 37.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.862 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 37' ' ' ASP . 85.4 t -105.73 112.55 39.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.338 0.59 . . . . 0.0 110.639 177.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -91.06 90.44 7.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.444 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 57.0 23.18 8.05 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.693 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.4 ' H ' HG12 ' A' ' 99' ' ' VAL . . . 112.29 -7.73 26.78 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.762 -177.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 48.1 t -103.87 129.06 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.802 0.301 . . . . 0.0 110.509 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.5 122.22 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 122.361 -0.212 . . . . 0.0 110.689 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 61.0 mt-30 -117.78 143.63 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.617 0.246 . . . . 0.0 110.377 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.2 mt -128.15 139.96 52.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -113.72 113.61 25.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 171.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.722 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.257 -178.217 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.429 ' CD2' ' HB2' ' A' ' 107' ' ' ARG . 81.0 m95 -89.7 95.59 10.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -89.52 122.43 32.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.792 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.64 112.33 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -81.82 -69.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.418 0.628 . . . . 0.0 110.1 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -162.18 177.03 10.03 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 57.6 mttm -81.86 158.93 23.85 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.485 -177.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.98 -11.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.451 0.643 . . . . 0.0 110.834 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -77.73 -21.83 51.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.343 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.69 -49.66 10.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.049 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.0 mt -86.96 101.49 11.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.6 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 86.5 mt -76.67 167.7 34.44 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.904 -177.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 17.0 Cg_endo -57.23 143.37 93.69 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.719 2.28 . . . . 0.0 111.892 174.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 61.77 35.09 16.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.786 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 m -126.47 136.58 52.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.45 139.42 14.12 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.15 148.74 33.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.897 0.379 . . . . 0.0 110.95 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 p -97.62 113.39 25.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.155 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.37 179.93 3.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.264 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.55 125.16 33.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.696 0.284 . . . . 0.0 110.816 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 tp -117.15 115.31 25.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.81 -102.56 0.99 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -171.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -129.54 -0.14 4.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.844 0.354 . . . . 0.0 110.424 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.15 148.26 22.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.256 0.55 . . . . 0.0 110.88 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -87.11 118.98 26.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.338 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -112.14 133.77 56.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.24 118.51 36.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.127 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 106' ' ' LEU . 56.3 mt -101.79 122.57 54.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.924 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.11 125.0 49.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.877 0.37 . . . . 0.0 110.995 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -108.71 100.23 37.93 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.521 ' HB3' HG21 ' A' ' 59' ' ' ILE . 74.2 Cg_endo -80.19 -43.23 0.13 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.953 2.435 . . . . 0.0 113.16 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 66' ' ' LEU . 69.2 m-85 -90.01 171.19 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.233 0.539 . . . . 0.0 110.922 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 8.4 t-80 -86.91 -3.54 59.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.53 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.67 ' HB2' ' OE1' ' A' ' 38' ' ' GLN . 1.5 m -97.72 -150.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.922 -176.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -90.55 6.38 43.85 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.67 ' OE1' ' HB2' ' A' ' 36' ' ' SER . 27.1 mp0 -79.87 109.67 14.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 111.378 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 m -126.57 143.7 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.911 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -126.96 148.67 50.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.399 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.65 129.04 38.32 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.034 0.445 . . . . 0.0 111.368 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.5 pt -135.7 169.54 20.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.266 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.3 m -60.41 129.38 41.37 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 64.1 t30 -74.53 -15.17 60.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.485 -175.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' SER . 50.7 mt -121.64 128.33 75.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.787 178.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -83.81 148.52 54.54 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.735 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -84.04 -24.91 2.47 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.94 2.426 . . . . 0.0 114.313 -172.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -91.61 -45.21 8.6 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -170.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 51.8 t80 -107.2 -8.03 16.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.923 0.392 . . . . 0.0 110.153 -176.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 10.1 pt-20 48.87 80.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.653 1.181 . . . . 0.0 113.322 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 3.4 m -102.05 114.16 28.04 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 169.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' HG12 ' A' ' 45' ' ' ILE . 13.4 m -59.48 -39.36 83.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -171.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.411 HG12 HD21 ' A' ' 44' ' ' ASN . 13.6 m -128.51 124.17 61.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.182 0.515 . . . . 0.0 111.613 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 79.8 mt -92.44 -15.03 27.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.304 170.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 m -68.42 -13.69 62.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.43 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -92.14 40.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.545 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.85 164.6 24.71 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.904 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.84 143.3 26.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.808 0.337 . . . . 0.0 110.795 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 33' ' ' PRO . 62.4 mt -102.81 129.6 54.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.826 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.28 143.07 30.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.053 0.454 . . . . 0.0 111.574 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.97 105.25 17.68 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -78.98 -55.53 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.231 -173.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -168.75 85.13 0.16 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.196 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.24 -6.89 58.79 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.69 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -139.76 144.6 37.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 110.705 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 34' ' ' TYR . 69.6 mt -88.12 120.29 29.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.681 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -117.26 136.09 53.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.789 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.6 p -109.53 139.37 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.94 116.51 17.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.865 0.364 . . . . 0.0 111.717 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.482 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 14.7 m -77.95 119.91 79.22 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.506 174.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.545 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 24.3 Cg_exo -64.34 -8.76 17.67 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.605 2.87 . . . . 0.0 114.006 -172.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.609 HD22 ' H ' ' A' ' 72' ' ' LEU . 3.0 mm? -52.53 -70.78 0.08 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.121 0.486 . . . . 0.0 110.538 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 70.5 mmtt -118.97 9.43 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.023 175.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 74' ' ' LYS . 4.4 ttmp? 59.57 66.58 0.99 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.552 -176.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -89.24 121.63 31.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.909 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 1.4 mpt_? -95.86 122.29 38.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.209 -174.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.36 120.71 37.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.697 0.284 . . . . 0.0 110.693 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.588 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 57.0 ttp180 -75.77 107.49 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.48 -31.32 65.87 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.85 -174.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -45.32 -50.3 12.13 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.046 0.841 . . . . 0.0 111.922 -176.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.501 ' HA ' ' CD2' ' A' ' 94' ' ' HIS . 31.5 t70 -144.29 20.35 1.73 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.276 0.56 . . . . 0.0 111.419 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.99 41.75 80.59 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.636 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.588 ' HB3' ' HB3' ' A' ' 78' ' ' ARG . 9.0 tp -94.16 104.78 16.79 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.469 -178.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.8 t -70.46 133.3 46.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 172.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 ttt -65.07 -34.97 79.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.939 0.4 . . . . 0.0 110.904 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -88.86 -49.77 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.586 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -83.77 10.49 9.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.324 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.551 ' HG3' HD11 ' A' ' 83' ' ' LEU . 41.8 tt0 -36.18 -35.16 0.07 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.399 1.48 . . . . 0.0 113.702 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.799 HE21 ' HA ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -45.94 -42.77 13.3 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 123.473 0.483 . . . . 0.0 111.86 -178.044 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -128.95 -23.52 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.111 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.8 m 67.82 -168.7 0.19 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.337 0.398 . . . . 0.0 111.38 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 m -114.57 -168.87 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.333 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -80.49 130.92 35.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 81' ' ' ASP . 41.9 t-80 -103.69 114.77 29.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.769 174.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -97.02 145.98 25.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.967 0.413 . . . . 0.0 110.507 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -86.92 114.88 23.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.561 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -112.86 146.4 38.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -150.53 169.15 22.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.808 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.91 94.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.339 0.59 . . . . 0.0 109.957 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -83.36 97.36 8.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.231 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.4 t70 58.29 16.74 4.2 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.454 0.645 . . . . 0.0 111.253 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.16 3.06 27.98 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.554 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 58.3 t -109.8 128.14 66.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.553 0.216 . . . . 0.0 110.643 178.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.11 121.56 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 27.8 mt-30 -116.53 153.88 31.41 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.862 176.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.561 HD11 HD11 ' A' ' 30' ' ' ILE . 74.3 mt -122.95 127.91 49.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.895 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.429 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . 10.4 ttp180 -110.56 115.19 29.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.082 0.468 . . . . 0.0 109.919 171.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.917 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 174.893 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.98 0.419 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 94.3 m95 -71.77 87.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 171.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 44.5 tptt -73.14 113.16 9.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.453 -175.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.05 115.24 13.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.052 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 mm -91.09 -81.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.874 -175.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.5 m -140.19 170.58 15.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.153 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 57.1 mtpt -79.07 144.85 34.2 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 99' ' ' VAL . 18.1 tt -68.62 -7.53 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.632 0.729 . . . . 0.0 110.279 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.88 -19.53 60.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.019 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -86.54 -42.78 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mt -79.87 104.91 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.039 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.18 156.6 91.62 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.617 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.57 142.85 95.67 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.493 2.128 . . . . 0.0 111.84 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 67.32 30.7 6.91 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.913 0.758 . . . . 0.0 110.785 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 m -127.34 136.33 51.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.525 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.76 136.01 10.42 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -126.0 158.26 35.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.856 0.36 . . . . 0.0 111.24 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -103.93 108.5 19.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.375 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.03 151.26 20.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.542 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -100.83 100.29 10.92 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -97.93 85.22 3.47 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.1 -116.88 4.91 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -168.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -107.47 0.75 23.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.311 0.577 . . . . 0.0 109.85 172.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -85.25 112.86 21.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.044 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -78.92 109.73 13.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.181 0.515 . . . . 0.0 109.767 175.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.55 HG11 HD13 ' A' ' 106' ' ' LEU . 31.4 t -101.91 129.38 53.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.21 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -90.62 106.89 18.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.346 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.522 HD11 HD11 ' A' ' 106' ' ' LEU . 52.1 mt -92.97 113.16 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.567 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.607 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 96.1 m-85 -107.54 122.83 47.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.79 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -106.47 100.12 28.34 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 167.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.497 ' HB2' HD13 ' A' ' 66' ' ' LEU . 73.6 Cg_endo -92.51 -25.01 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.763 2.309 . . . . 0.0 113.179 -177.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -98.64 166.18 11.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.171 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -83.21 -9.74 58.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.434 0.635 . . . . 0.0 109.369 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 m -79.65 -167.28 1.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.904 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -96.18 31.29 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.547 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -105.02 116.01 31.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.641 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.7 m -127.76 153.85 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.299 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -131.55 151.01 51.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.358 -0.383 . . . . 0.0 109.982 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -133.49 128.34 35.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.133 0.492 . . . . 0.0 111.541 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.9 pt -134.2 -176.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.134 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 54' ' ' LEU . 14.4 m -65.27 122.1 16.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 175.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.489 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 9.1 t30 -75.32 -31.74 60.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.795 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.637 HG12 ' O ' ' A' ' 52' ' ' SER . 22.2 mt -109.1 127.77 65.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.398 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -78.11 122.6 85.56 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.146 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 5.8 Cg_endo -87.17 -7.16 7.09 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.094 2.529 . . . . 0.0 113.497 -174.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -90.39 -56.4 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.079 0.466 . . . . 0.0 110.18 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.6 ' HZ ' ' HE2' ' A' ' 73' ' ' LYS . 49.0 t80 -95.32 -10.58 29.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.675 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 42.0 mt-10 65.43 64.4 0.6 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.361 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.6 m -102.45 117.42 34.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.84 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.637 ' O ' HG12 ' A' ' 45' ' ' ILE . 21.1 m -65.5 -42.19 92.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -167.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.701 HG21 ' HD3' ' A' ' 56' ' ' ARG . 6.6 m -128.72 124.01 60.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 43' ' ' SER . 74.9 mt -92.63 -24.28 18.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.084 167.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.607 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 3.4 p -63.77 -28.04 69.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.143 -175.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.701 ' HD3' HG21 ' A' ' 53' ' ' VAL . 69.2 mtp180 -86.99 41.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.843 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.55 164.64 24.61 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.146 -175.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 58' ' ' LEU . 2.8 mm? -81.71 142.76 32.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.79 0.328 . . . . 0.0 111.174 -172.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.25 105.3 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.627 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.99 149.67 32.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.297 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.0 141.73 43.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.729 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 67' ' ' TRP . 51.8 t-80 -129.36 78.2 1.84 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.618 172.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 59.76 18.68 7.49 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.649 174.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.75 -42.9 1.03 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.253 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.58 158.6 18.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 33' ' ' PRO . 88.8 mt -106.51 117.81 35.02 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.153 0.502 . . . . 0.0 110.158 175.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.431 ' CZ2' ' HD3' ' A' ' 78' ' ' ARG . 37.4 m95 -111.1 133.45 53.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.417 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -96.79 127.97 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.108 0.48 . . . . 0.0 110.204 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -111.97 116.89 31.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.486 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 p -80.5 123.18 82.97 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.52 0.06 8.07 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.79 2.326 . . . . 0.0 112.409 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.6 -61.44 2.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.6 ' HE2' ' HZ ' ' A' ' 49' ' ' PHE . 17.7 tptt -131.85 12.52 4.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.016 0.436 . . . . 0.0 109.976 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 62.19 67.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.048 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -110.31 147.49 33.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' HE3' ' A' ' 67' ' ' TRP . 20.5 ttt180 -124.69 117.91 25.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.152 0.501 . . . . 0.0 111.132 -172.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -119.22 142.08 48.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.441 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.431 ' HD3' ' CZ2' ' A' ' 67' ' ' TRP . 53.0 ttp180 -89.59 95.09 10.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 80' ' ' SER . 2.2 pp -62.61 -17.7 60.77 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.442 ' N ' HD12 ' A' ' 79' ' ' LEU . 45.9 t -62.94 -55.49 25.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.606 0.241 . . . . 0.0 111.022 -178.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -110.05 -12.88 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.571 0.224 . . . . 0.0 111.481 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.47 14.24 51.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.781 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.513 HD11 ' HG3' ' A' ' 88' ' ' GLU . 13.7 tp -77.45 145.29 37.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.769 0.318 . . . . 0.0 110.693 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.53 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 23.2 t -100.16 145.35 28.12 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 171.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.3 ttt -60.92 -62.62 1.73 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -173.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -12.74 30.61 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.53 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 11.9 t70 -98.26 10.74 39.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 109.759 176.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.513 ' HG3' HD11 ' A' ' 83' ' ' LEU . 35.1 tt0 -34.29 -38.17 0.06 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.758 1.223 . . . . 0.0 113.972 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.3 pm0 -59.47 -23.12 62.47 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -132.1 -65.41 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.222 -0.299 . . . . 0.0 110.943 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.3 m 69.35 179.88 0.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 112.288 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 m -91.24 -179.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.588 -174.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -90.05 124.79 35.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.853 -175.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -90.01 136.65 32.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.34 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.411 ' CD1' HG13 ' A' ' 28' ' ' VAL . 67.3 m-85 -109.52 135.7 50.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 37.6 mm-40 -77.49 120.4 22.42 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.277 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.74 146.26 42.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.975 0.417 . . . . 0.0 111.524 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -150.23 156.49 41.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.594 173.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.423 HG21 HD12 ' A' ' 10' ' ' ILE . 63.5 t -104.3 99.85 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.125 0.488 . . . . 0.0 110.247 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -94.03 105.18 17.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.488 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.8 t70 63.14 11.01 4.94 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.547 0.689 . . . . 0.0 110.869 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.34 -4.27 26.66 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.354 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 59.6 t -102.12 130.92 51.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.886 0.343 . . . . 0.0 110.642 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 t -76.7 118.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 73.8 mt-30 -114.07 133.89 55.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.795 0.331 . . . . 0.0 110.735 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.55 HD13 HG11 ' A' ' 28' ' ' VAL . 45.4 mt -117.42 119.97 36.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.684 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.535 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 23.5 ttp180 -91.6 117.2 29.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.131 0.491 . . . . 0.0 110.102 173.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.838 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.352 178.561 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -84.7 102.36 12.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.018 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -79.71 125.82 30.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.915 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.09 138.49 49.79 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.445 HG13 HD11 ' A' ' 30' ' ' ILE . 50.1 mm -111.45 -72.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.424 0.631 . . . . 0.0 110.318 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.8 p -156.86 -165.05 1.76 Allowed 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -101.65 161.79 13.38 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.431 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.4 tp -65.9 -12.55 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.705 0.764 . . . . 0.0 110.031 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.46 -31.16 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.546 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.31 -37.42 77.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.498 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 mt -100.34 112.44 33.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.238 -173.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 80.2 mt -77.8 168.95 23.43 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.318 178.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.681 ' HG3' ' HB3' ' A' ' 35' ' ' HIS . 98.6 Cg_exo -50.66 133.77 39.14 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.766 2.311 . . . . 0.0 113.087 174.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.0 mp0 52.35 56.81 7.17 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.933 0.771 . . . . 0.0 111.053 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -136.34 147.15 47.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.779 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.77 137.37 10.82 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.938 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.1 m -118.76 167.06 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.665 0.269 . . . . 0.0 111.139 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -109.5 112.13 24.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.416 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.62 177.41 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.7 mt -123.66 132.61 53.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.952 0.406 . . . . 0.0 111.148 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -121.69 95.71 4.78 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.06 -120.72 10.83 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.434 -0.889 . . . . 0.0 110.943 -171.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -93.65 -22.43 18.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.022 0.439 . . . . 0.0 110.898 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.72 139.5 30.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.167 0.508 . . . . 0.0 111.343 -176.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -85.24 143.63 28.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.991 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.407 ' CG1' ' HB1' ' A' ' 41' ' ' ALA . 76.5 t -131.48 127.58 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.896 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.22 115.31 25.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.748 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.496 HD11 HD11 ' A' ' 106' ' ' LEU . 54.3 mt -97.93 116.42 40.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.62 131.63 54.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.697 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -103.19 99.96 16.14 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 171.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -85.36 -23.09 2.42 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.796 2.331 . . . . 0.0 112.5 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -117.71 130.4 56.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.681 ' HB3' ' HG3' ' A' ' 15' ' ' PRO . 2.5 p-80 -80.99 56.42 2.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.229 0.538 . . . . 0.0 111.056 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 p -135.18 -85.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.161 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.0 -35.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.685 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.82 114.74 4.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.111 -171.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.97 156.17 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.018 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -137.57 147.21 44.9 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' CG1' ' A' ' 28' ' ' VAL . . . -119.86 137.73 53.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.645 0.259 . . . . 0.0 111.326 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 93' ' ' LYS . 24.3 pt -144.36 -172.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.054 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 m -73.2 141.56 47.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.486 0.184 . . . . 0.0 111.149 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.52 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 6.1 m120 -78.1 -42.41 32.12 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.077 0.465 . . . . 0.0 110.477 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 51' ' ' SER . 25.9 mm -103.72 141.48 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.459 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.624 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -59.17 116.14 14.79 Favored Pre-proline 0 N--CA 1.466 0.36 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 170.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.85 -55.47 0.41 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.253 1.969 . . . . 0.0 112.078 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -91.64 -7.36 50.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.792 -174.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.624 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 85.6 t80 -114.19 -27.63 7.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -175.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 65.23 93.19 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.461 0.648 . . . . 0.0 111.189 -176.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 45' ' ' ILE . 98.1 p -126.55 -165.6 1.47 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 m -102.94 -168.68 1.55 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -68.39 124.61 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.491 0.662 . . . . 0.0 111.415 -175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 40.1 mt -74.04 -10.6 59.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.34 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 m -61.31 -22.81 65.23 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.503 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -97.18 41.28 1.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.443 0.64 . . . . 0.0 110.333 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.68 164.56 24.66 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.526 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 58' ' ' LEU . 2.3 mm? -95.46 126.78 40.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.849 0.357 . . . . 0.0 111.271 -168.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 16' ' ' GLU . 68.5 mt -78.5 123.93 36.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -136.15 -171.86 2.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.725 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -122.74 129.21 51.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.31 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -101.18 -43.9 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.589 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -152.48 60.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.155 0.503 . . . . 0.0 110.46 -178.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.62 -28.83 2.69 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.013 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -88.63 146.71 24.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.53 112.7 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.505 0.669 . . . . 0.0 110.854 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 24.9 m95 -111.13 152.17 27.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.068 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.9 p -96.47 125.82 49.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.177 0.513 . . . . 0.0 109.677 176.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -97.39 103.65 15.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.402 ' OG ' HD22 ' A' ' 54' ' ' LEU . 13.5 m -78.12 125.19 85.55 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.937 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 32.7 Cg_exo -58.66 -27.06 81.87 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.694 2.262 . . . . 0.0 111.697 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -81.61 116.73 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.015 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 75' ' ' GLN . 1.8 tmmt? 71.03 -6.81 1.22 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.246 0.619 . . . . 0.0 111.913 175.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm 64.98 28.66 12.5 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.044 0.45 . . . . 0.0 111.354 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 73' ' ' LYS . 3.2 pt20 -71.55 154.48 41.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.122 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -126.92 120.94 30.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.796 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.455 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 64.0 m-85 -118.05 130.97 56.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.253 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -91.14 97.24 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 79' ' ' LEU . 1.2 pp -65.28 -14.47 60.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.582 -173.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m -66.65 -46.88 74.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.534 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -117.54 -29.96 5.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.582 0.23 . . . . 0.0 111.117 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.0 -1.56 19.54 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.527 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.99 135.82 52.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 0.0 111.024 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 16.7 m -110.67 137.39 48.4 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 19.0 ttt -75.57 -62.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.77 0.319 . . . . 0.0 111.721 -172.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -84.87 -32.25 23.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.601 0.715 . . . . 0.0 109.82 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.452 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 1.0 OUTLIER -83.29 10.23 8.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.923 -178.462 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -42.65 -31.31 0.44 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.095 1.358 . . . . 0.0 113.408 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -53.71 -37.14 62.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.193 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -149.56 69.42 1.04 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 110.151 -176.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.695 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 59.9 m -52.0 157.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.444 174.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.7 m -90.3 167.74 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -169.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 52.6 mtpt -76.01 117.0 17.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.64 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -97.1 115.04 26.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.082 0.468 . . . . 0.0 110.296 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -99.64 152.63 19.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.522 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.67 131.5 37.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.724 0.297 . . . . 0.0 110.601 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.8 141.53 50.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.305 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -149.78 159.43 44.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.707 0.289 . . . . 0.0 110.42 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.62 111.41 32.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.658 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' HG2' ' OD1' ' A' ' 101' ' ' ASP . 49.8 tttm -110.87 113.54 26.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.275 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.415 ' OD1' ' HG2' ' A' ' 100' ' ' LYS . 3.7 m-20 62.8 17.96 10.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.126 0.488 . . . . 0.0 110.218 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.53 -1.19 58.43 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.418 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.9 t -108.59 128.21 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.614 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.83 127.6 37.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.409 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -119.48 153.52 35.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.469 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 30' ' ' ILE . 88.8 mt -124.7 133.07 53.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.013 178.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -117.14 104.69 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 170.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.672 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.219 -178.138 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 C--O 1.234 0.265 0 CA-C-O 120.707 0.289 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -63.4 94.14 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.186 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -82.8 124.55 30.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.889 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -72.35 115.05 11.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.593 175.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.0 mm -88.94 -75.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.267 0.556 . . . . 0.0 110.714 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.7 m -150.06 -172.57 4.2 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 22.7 mtpt -92.02 157.73 16.62 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.928 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.494 HD11 ' HD2' ' A' ' 32' ' ' ARG . 11.0 tp -69.74 -15.19 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.327 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -65.45 -25.17 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.511 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -87.78 -10.12 51.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.239 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -117.32 113.86 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 90.6 mt -86.11 162.0 47.79 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.641 0.257 . . . . 0.0 111.132 -175.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 19.5 Cg_endo -60.08 122.91 12.12 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 122.428 2.085 . . . . 0.0 111.974 175.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 59' ' ' ILE . 69.4 mt-10 76.94 31.72 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.309 1.044 . . . . 0.0 111.895 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.3 p -130.55 161.12 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.704 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -136.48 139.7 10.87 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.616 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -120.59 160.99 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 m -93.85 109.3 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.552 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.82 27.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.048 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.1 104.97 14.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.074 0.464 . . . . 0.0 111.015 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.3 tp -91.07 95.03 9.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 175.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.72 -95.42 0.9 Allowed Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -169.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.53 -4.97 4.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.333 0.587 . . . . 0.0 110.117 169.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -80.49 132.66 35.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.016 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.36 115.88 25.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.687 0.756 . . . . 0.0 111.487 -176.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.7 t -107.47 132.76 54.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.698 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.53 109.96 21.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.705 0.288 . . . . 0.0 110.342 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.51 HD11 HD11 ' A' ' 106' ' ' LEU . 61.3 mt -96.82 108.95 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.961 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.455 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 94.2 m-85 -102.79 123.9 47.31 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HD2' HD11 ' A' ' 10' ' ' ILE . 77.0 ttt180 -101.54 99.94 12.77 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 169.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 87.0 Cg_endo -93.11 -19.08 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.726 2.284 . . . . 0.0 112.827 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -102.22 165.84 10.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.062 0.458 . . . . 0.0 110.769 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -79.66 -26.89 40.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 m -83.14 -162.43 0.61 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.305 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -80.99 13.41 2.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.095 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -85.57 103.77 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.034 0.445 . . . . 0.0 110.96 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.23 152.61 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.31 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.91 129.99 39.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.293 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 95' ' ' TYR . . . -111.43 130.17 55.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.041 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 pt -137.74 -172.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.232 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.494 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 35.3 t -68.65 149.58 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.61 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 64.9 t30 -95.54 -11.58 27.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -176.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 51' ' ' SER . 48.5 mm -119.65 142.68 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 4.5 m-20 -73.09 152.76 90.67 Favored Pre-proline 0 N--CA 1.472 0.629 0 CA-C-O 120.661 0.267 . . . . 0.0 110.997 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 6.0 Cg_exo -79.09 -79.44 0.0 OUTLIER 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 123.298 2.665 . . . . 0.0 113.487 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 90' ' ' PHE . 18.9 m-85 -81.16 -38.36 27.27 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.034 0.445 . . . . 0.0 110.322 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.532 ' CZ ' ' HE2' ' A' ' 73' ' ' LYS . 13.9 t80 -65.53 -31.88 73.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.282 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 43.25 75.18 0.1 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.323 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 45' ' ' ILE . 1.9 t -119.78 -165.61 1.19 Allowed 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 173.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -88.28 -153.65 0.25 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.228 0.537 . . . . 0.0 111.292 -173.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 44' ' ' ASN . 19.1 m -68.04 134.27 30.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.273 -171.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.4 mt -80.06 -11.7 59.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.216 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -59.29 -28.08 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.297 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -91.46 40.41 1.03 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.041 0.448 . . . . 0.0 110.09 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.48 164.74 24.59 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.747 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.4 pt? -102.43 162.28 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.037 0.446 . . . . 0.0 110.783 -176.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 16' ' ' GLU . 72.9 mt -114.56 133.57 60.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.619 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.03 151.27 50.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.4 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -95.88 130.35 42.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.126 0.489 . . . . 0.0 111.694 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -77.47 -59.97 2.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.01 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 178.33 92.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.99 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.97 3.25 84.28 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -173.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -129.41 124.29 33.79 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 91.2 mt -95.59 113.09 24.71 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.253 0.549 . . . . 0.0 109.914 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -102.81 148.53 25.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.689 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 14.8 p -99.4 137.87 25.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -122.87 114.47 20.52 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.946 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.0 m -78.19 115.59 52.11 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.506 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.35 23.1 0.55 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.921 2.414 . . . . 0.0 112.369 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 mt -80.87 -59.56 2.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.778 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.532 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 30.8 mtmm -134.68 -76.65 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.537 171.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 13.5 ptmm? -174.4 97.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.178 0.513 . . . . 0.0 111.326 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.6 pm0 -150.26 145.97 26.52 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.36 122.34 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -171.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 65.7 m-85 -113.41 128.93 56.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.994 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -80.57 101.44 9.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.84 -23.27 42.86 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -173.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.3 t -61.26 -17.28 52.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.381 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 33.0 t70 -143.84 -38.33 0.31 Allowed 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 120.63 0.252 . . . . 0.0 111.441 177.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.63 -1.37 24.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.2 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 tt -76.54 138.52 40.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.09 0.471 . . . . 0.0 110.949 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.505 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 53.8 t -98.93 154.75 17.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.34 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 52.9 ttm -81.9 -41.27 21.16 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.026 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -92.53 -26.93 17.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.981 0.419 . . . . 0.0 111.029 -176.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 9.6 m-20 -96.21 10.7 36.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.656 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 36.3 tt0 -34.03 -63.67 0.26 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -167.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.24 -27.33 68.37 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -171.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.514 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 61.5 t80 -133.74 67.08 1.53 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.525 0.679 . . . . 0.0 109.254 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.424 ' HB3' ' H ' ' A' ' 84' ' ' CYS . 0.3 OUTLIER -80.89 -168.57 1.83 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.192 179.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.494 ' HB ' ' HB3' ' A' ' 43' ' ' SER . 32.9 m -92.31 163.42 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.142 0.496 . . . . 0.0 111.963 -172.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.57 122.28 23.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.516 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 9.8 t-160 -85.88 119.43 26.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.603 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.408 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 80.4 m-85 -92.79 141.57 28.3 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 1.8 mp0 -79.79 107.65 12.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.913 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.45 152.68 32.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.447 -175.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -150.32 153.08 35.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.411 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.9 t -97.76 102.32 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.303 0.573 . . . . 0.0 109.776 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -92.52 96.33 10.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.269 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 60.65 19.38 9.36 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.257 0.348 . . . . 0.0 111.427 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.51 -9.26 28.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.513 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.65 129.51 52.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.536 0.208 . . . . 0.0 110.466 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.47 120.62 33.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -112.76 140.06 47.86 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.284 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 30' ' ' ILE . 65.2 mt -115.18 130.58 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.878 0.371 . . . . 0.0 111.183 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.461 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 10.8 ttp180 -111.42 117.67 33.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 171.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.813 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.134 179.631 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 5.9 tp60 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.478 0.656 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.426 ' CE2' ' HD3' ' A' ' 107' ' ' ARG . 96.2 m95 -91.7 90.49 7.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.925 172.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -95.19 131.3 41.39 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.832 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.456 ' HA ' ' HG2' ' A' ' 105' ' ' GLN . 7.0 p-10 -72.07 138.12 47.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.878 175.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.467 HG21 ' HB1' ' A' ' 21' ' ' ALA . 30.5 mm -102.24 -67.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.615 0.721 . . . . 0.0 109.445 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.0 p -155.43 174.74 14.82 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.47 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 9.8 mtmp? -73.74 154.23 39.69 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.653 HD12 HG21 ' A' ' 99' ' ' VAL . 19.3 tt -72.33 -11.88 15.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.918 0.865 . . . . 0.0 109.145 175.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.41 -28.39 67.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.565 174.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.459 ' OD1' ' HB2' ' A' ' 9' ' ' LYS . 4.6 m-20 -77.3 -29.77 53.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.884 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mt -105.37 103.81 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.386 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.35 156.57 91.68 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.442 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HB3' ' HA ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -60.36 146.58 96.35 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.329 2.019 . . . . 0.0 111.706 175.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 15' ' ' PRO . 25.5 mm-40 67.29 29.84 7.38 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.656 0.597 . . . . 0.0 110.628 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -130.59 144.21 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.83 133.01 7.44 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -128.7 171.44 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.783 0.325 . . . . 0.0 111.153 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -97.93 130.22 44.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.723 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB1' HG21 ' A' ' 7' ' ' ILE . . . -127.62 167.94 15.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.35 120.38 26.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.315 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.674 HD13 ' HB2' ' A' ' 106' ' ' LEU . 52.3 tp -96.69 85.84 3.94 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.16 -88.01 1.09 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -129.5 -4.65 4.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.384 0.611 . . . . 0.0 110.115 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -82.02 141.04 33.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.643 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -88.07 122.72 31.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.932 0.396 . . . . 0.0 110.539 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.436 HG11 HD13 ' A' ' 106' ' ' LEU . 44.2 t -129.37 139.38 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.412 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.79 116.9 33.74 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 106' ' ' LEU . 58.1 mt -103.28 122.83 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.05 0.452 . . . . 0.0 110.553 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 81.0 m-85 -115.87 129.45 56.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.16 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -111.7 99.9 46.46 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HB3' HG21 ' A' ' 59' ' ' ILE . 1.2 Cg_endo -83.14 -37.78 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.047 2.498 . . . . 0.0 112.335 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -90.34 160.29 16.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.224 0.535 . . . . 0.0 111.107 -175.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 11.5 m170 -76.45 -15.99 59.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.826 174.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 p -87.2 -163.24 0.89 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.203 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.446 ' HB2' ' HB ' ' A' ' 99' ' ' VAL . 7.7 p-10 -85.57 11.46 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.474 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -83.55 97.68 9.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.078 0.466 . . . . 0.0 110.965 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -115.37 155.31 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.298 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -127.5 141.53 51.63 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.65 130.22 37.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.893 0.378 . . . . 0.0 111.387 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.6 pt -138.65 172.35 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.94 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.643 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 20.0 p -64.83 136.48 56.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -84.06 -6.72 59.46 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -171.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 51' ' ' SER . 67.6 mt -109.84 123.11 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.593 0.235 . . . . 0.0 111.084 -176.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.844 ' HB2' ' H ' ' A' ' 50' ' ' GLU . 1.3 m-20 -61.83 132.93 93.55 Favored Pre-proline 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 177.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD3' HG12 ' A' ' 92' ' ' VAL . 2.8 Cg_endo -82.26 -13.66 9.89 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.282 1.988 . . . . 0.0 110.324 168.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.847 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 87.4 t80 -89.24 -55.32 3.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.289 -177.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -111.08 -22.11 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.085 -175.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.844 ' H ' ' HB2' ' A' ' 46' ' ' ASP . 39.1 mt-10 69.06 73.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.155 0.582 . . . . 0.0 112.211 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.469 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 48.4 t -109.09 161.68 14.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 171.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 p -87.3 -30.72 20.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 0.0 111.698 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.4 m -128.64 124.54 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.478 0.656 . . . . 0.0 111.829 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.8 mt -92.31 -7.62 47.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.932 170.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.451 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 6.0 m -74.83 0.84 14.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.482 -174.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -104.23 40.55 1.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.613 0.72 . . . . 0.0 109.725 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.88 164.58 24.72 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.958 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -96.41 139.59 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.737 0.303 . . . . 0.0 110.36 -177.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.537 HG21 ' HB3' ' A' ' 33' ' ' PRO . 61.2 mt -92.38 120.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.084 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.47 164.97 25.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.484 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -101.12 127.82 47.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.957 0.408 . . . . 0.0 111.106 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 11.6 t-160 -76.61 -49.95 15.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.386 175.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 7.9 tp-100 174.57 78.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.226 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.5 -31.24 4.59 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.46 -171.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -88.63 145.07 25.89 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 122.411 0.285 . . . . 0.0 110.63 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.97 119.23 38.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.179 0.514 . . . . 0.0 110.335 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.604 ' HZ3' ' HB2' ' A' ' 85' ' ' MET . 31.6 m95 -116.8 140.41 49.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.007 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.67 124.64 49.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.04 107.49 15.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.409 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.529 ' HB3' HD13 ' A' ' 72' ' ' LEU . 38.5 m -84.3 119.58 73.35 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.56 3.21 3.3 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.728 2.286 . . . . 0.0 112.46 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 70' ' ' SER . 7.4 mp -64.59 -72.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.863 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 26.8 mmtp -129.94 25.98 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 111.262 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.0 tptm 71.64 25.43 3.3 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.014 168.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.406 ' HG2' ' HB2' ' A' ' 70' ' ' SER . 1.4 pm0 -74.54 139.42 43.77 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.764 0.316 . . . . 0.0 110.356 177.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -127.03 132.37 50.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.744 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.404 ' HE1' ' HG3' ' A' ' 75' ' ' GLN . 79.2 m-85 -129.66 135.08 48.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.71 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -84.1 112.9 20.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.42 -26.3 68.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -170.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.7 m -68.74 -49.45 58.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -114.22 -17.39 11.87 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.05 14.52 51.56 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.416 HD12 ' OG ' ' A' ' 91' ' ' SER . 30.1 tp -72.16 134.83 45.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.828 0.347 . . . . 0.0 110.774 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.7 t -99.86 136.36 39.89 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 173.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.604 ' HB2' ' HZ3' ' A' ' 67' ' ' TRP . 16.5 ttt -67.74 -34.99 77.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.121 0.486 . . . . 0.0 110.352 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -87.89 -47.67 8.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.564 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.847 ' HB2' ' HB2' ' A' ' 48' ' ' PHE . 24.1 t70 -89.58 10.95 21.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.798 -174.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -37.62 -26.18 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -49.34 -38.59 28.52 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 122.825 0.45 . . . . 0.0 112.14 172.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -134.27 -52.75 0.83 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.137 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.416 ' OG ' HD12 ' A' ' 83' ' ' LEU . 48.7 m 72.04 -179.45 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.379 0.671 . . . . 0.0 111.893 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.643 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 31.6 m -92.12 -178.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.166 0.508 . . . . 0.0 111.854 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -97.99 119.84 37.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.866 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -90.95 134.81 34.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.74 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.417 ' CD2' ' HA3' ' A' ' 108' ' ' GLY . 76.8 m-85 -107.32 145.45 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.872 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -82.72 119.21 24.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.38 136.41 52.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.561 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -135.83 144.99 45.98 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.653 HG21 HD12 ' A' ' 10' ' ' ILE . 59.3 t -98.16 102.26 13.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -97.44 108.95 21.78 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.403 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.5 t70 62.74 25.22 14.99 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.535 0.683 . . . . 0.0 110.619 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.83 2.89 64.5 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.82 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 62.4 t -113.18 128.63 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.866 0.333 . . . . 0.0 110.37 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 t -75.09 119.92 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 6' ' ' ASP . 89.7 mt-30 -117.89 143.09 46.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.536 176.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.674 ' HB2' HD13 ' A' ' 23' ' ' LEU . 69.5 mt -120.04 139.12 53.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.426 ' HD3' ' CE2' ' A' ' 4' ' ' TRP . 8.4 ttp180 -115.69 115.64 26.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 172.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.417 ' HA3' ' CD2' ' A' ' 95' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.636 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.135 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.518 0.675 . . . . 0.0 109.715 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.504 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 97.7 m95 -80.57 92.73 5.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.986 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.74 116.8 17.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.399 -177.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.41 112.39 2.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.642 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.491 HD12 ' HB1' ' A' ' 21' ' ' ALA . 40.5 mm -87.36 -70.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.192 0.52 . . . . 0.0 110.118 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 p -157.14 177.87 10.99 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HG2' HG22 ' A' ' 103' ' ' VAL . 47.0 mtpt -87.9 161.03 17.7 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.079 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.97 -10.58 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 121.461 0.648 . . . . 0.0 110.71 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.42 -21.85 60.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.104 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -85.3 -44.97 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.915 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.673 HD12 HG21 ' A' ' 104' ' ' VAL . 41.5 mt -94.79 101.32 12.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.725 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.875 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -85.65 171.92 9.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.727 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.564 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 55.9 Cg_exo -53.17 138.46 63.37 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.653 2.235 . . . . 0.0 112.468 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 59' ' ' ILE . 73.9 mt-10 51.24 62.17 2.85 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.967 -175.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.663 ' OG1' ' HG ' ' A' ' 14' ' ' LEU . 24.2 m -144.86 136.13 25.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.12 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -125.02 132.85 8.25 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.782 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 m -117.91 169.7 8.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.837 0.351 . . . . 0.0 110.758 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -104.34 128.95 52.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.659 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB1' HD12 ' A' ' 7' ' ' ILE . . . -127.53 143.76 51.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.718 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.59 108.14 19.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.6 tp -93.86 91.88 7.15 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.92 -90.09 0.49 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 -174.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -129.59 0.67 4.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.237 0.541 . . . . 0.0 109.938 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -95.59 128.13 42.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.958 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -77.89 123.3 26.6 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.467 HG11 HD11 ' A' ' 106' ' ' LEU . 44.1 t -123.13 138.17 54.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.037 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' HB2' ' OD1' ' A' ' 44' ' ' ASN . . . -101.2 118.79 37.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.444 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CD1' HG13 ' A' ' 7' ' ' ILE . 61.2 mt -103.01 114.46 42.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.016 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.456 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 96.4 m-85 -112.13 130.59 55.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.472 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.53 ' HB2' HG12 ' A' ' 39' ' ' VAL . 79.5 ttt180 -101.93 99.98 13.6 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 170.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HB2' HD13 ' A' ' 66' ' ' LEU . 63.0 Cg_endo -95.06 -3.5 2.3 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.978 2.452 . . . . 0.0 112.853 -178.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -107.17 154.36 21.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.54 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -73.81 -22.57 59.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 p -85.09 -163.83 0.9 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.708 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -85.31 14.68 5.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.502 0.321 . . . . 0.0 111.464 -174.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -83.82 110.71 18.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.108 0.48 . . . . 0.0 111.179 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 32' ' ' ARG . 31.5 m -119.48 152.99 22.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.411 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -132.25 145.04 51.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.741 0.305 . . . . 0.0 110.322 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.27 136.13 55.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.951 0.405 . . . . 0.0 111.028 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.4 pt -134.88 162.64 38.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.524 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.539 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 18.8 t -57.89 134.15 56.07 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' OD1' ' HB2' ' A' ' 29' ' ' ALA . 59.0 t30 -93.59 11.59 28.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.564 -173.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 52' ' ' SER . 39.6 mm -127.68 136.69 59.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.228 176.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' OD2' ' HB3' ' A' ' 51' ' ' SER . 3.8 m-20 -74.85 129.18 83.9 Favored Pre-proline 0 N--CA 1.468 0.47 0 CA-C-N 117.795 0.271 . . . . 0.0 110.566 175.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.72 -54.55 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.521 2.147 . . . . 0.0 113.762 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -88.41 -41.51 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.004 0.431 . . . . 0.0 110.289 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -71.93 -26.77 62.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.303 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 61.5 79.54 0.25 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.824 0.821 . . . . 0.0 110.585 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.537 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 41.0 t -137.38 163.05 31.96 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.846 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.451 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 40.6 m -93.1 -140.48 0.21 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.638 0.256 . . . . 0.0 111.284 -175.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.3 m -67.71 129.31 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.986 0.898 . . . . 0.0 113.299 -167.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.2 mt -92.46 -7.46 47.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.475 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m -65.6 0.96 1.38 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -172.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.606 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 3.5 tpm_? -110.9 40.72 1.96 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.1 0.476 . . . . 0.0 110.373 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.32 164.82 24.53 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.034 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.739 HD23 ' H ' ' A' ' 58' ' ' LEU . 1.6 pt? -91.37 162.68 14.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.971 -175.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 16' ' ' GLU . 69.1 mt -109.69 126.76 66.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.02 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.87 119.02 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.051 0.453 . . . . 0.0 111.234 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.63 125.42 30.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.793 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.418 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 33.5 m170 -79.24 -84.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.623 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -114.28 -16.37 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.463 0.649 . . . . 0.0 109.955 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.52 -25.94 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.584 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.418 ' OE1' ' HB2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -88.54 145.49 25.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.174 0.511 . . . . 0.0 109.948 176.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 33' ' ' PRO . 28.1 mt -100.08 116.1 31.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.701 -174.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 48.5 m95 -112.93 140.18 47.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.449 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.3 p -100.82 133.69 43.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 172.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.5 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -110.75 115.61 29.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.263 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.722 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . 20.2 m -89.83 120.57 69.4 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.89 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.6 -4.23 8.0 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.223 2.615 . . . . 0.0 112.724 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.74 -51.37 69.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.854 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HB3' ' HE3' ' A' ' 73' ' ' LYS . 23.3 mmmt -141.47 20.69 2.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 -176.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 62.12 36.27 15.28 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -171.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.722 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 63.7 tt0 -73.96 144.27 45.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.415 -1.721 . . . . 0.0 110.881 -170.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -128.68 121.65 29.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.986 0.422 . . . . 0.0 111.906 -172.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.498 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 96.6 m-85 -119.0 132.33 56.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.862 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.516 ' HE ' ' HB3' ' A' ' 81' ' ' ASP . 52.8 ttp180 -85.88 90.16 7.99 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 68' ' ' VAL . 2.9 pp -64.31 -15.6 60.58 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -170.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.9 m -70.2 -19.01 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.828 0.347 . . . . 0.0 110.779 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.516 ' HB3' ' HE ' ' A' ' 78' ' ' ARG . 8.0 t70 -130.7 -46.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.779 -173.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.79 -13.63 9.87 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.657 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.409 HD11 ' HG3' ' A' ' 88' ' ' GLU . 19.6 tp -57.45 134.57 56.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.046 0.45 . . . . 0.0 111.484 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.514 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 43.6 t -106.72 146.52 30.71 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 171.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.0 ttt -77.73 -39.25 45.06 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.192 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' A' ' 75' ' ' GLN . 2.1 pm0 -91.47 -39.71 11.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.63 0.252 . . . . 0.0 111.507 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.514 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 11.3 t70 -82.42 10.51 7.0 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.386 0.612 . . . . 0.0 109.595 177.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' HG3' HD11 ' A' ' 83' ' ' LEU . 38.8 tt0 -34.89 -32.57 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.053 1.341 . . . . 0.0 114.143 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -57.84 -39.24 77.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.616 0.246 . . . . 0.0 111.64 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -118.81 -54.75 2.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.156 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.5 m 71.9 167.3 0.31 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.796 0.685 . . . . 0.0 110.909 -175.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 43' ' ' SER . 27.7 m -90.63 145.96 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.404 0.621 . . . . 0.0 111.606 -173.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -64.48 122.66 17.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.23 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -84.8 142.55 29.7 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.452 ' HD1' ' CA ' ' A' ' 108' ' ' GLY . 90.7 m-85 -121.3 163.11 19.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.728 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -99.08 117.55 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.53 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.26 147.06 46.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.829 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -149.2 163.95 36.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.491 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.74 111.03 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -116.39 116.78 28.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.657 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.0 t70 65.19 13.54 8.81 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.868 0.842 . . . . 0.0 110.055 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.84 10.04 58.0 Favored Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.886 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.516 HG22 ' HG2' ' A' ' 9' ' ' LYS . 92.1 t -111.77 129.99 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.673 HG21 HD12 ' A' ' 13' ' ' ILE . 24.7 t -76.39 114.41 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.504 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 70.1 mt-30 -108.51 144.06 36.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.467 HD11 HG11 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -121.97 119.49 31.63 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.548 -177.169 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.44 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . 38.0 ttp85 -111.5 119.77 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.452 ' CA ' ' HD1' ' A' ' 95' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.923 0 C-N-CA 120.083 -1.056 . . . . 0.0 112.613 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.953 0.406 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 96.6 m95 -86.61 98.25 10.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -76.3 129.36 36.54 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.223 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.77 98.46 5.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.438 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 mm -78.77 -81.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.928 0.394 . . . . 0.0 111.088 -174.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.9 p -152.41 169.11 23.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.53 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 48.5 mtmt -76.46 147.61 37.78 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.541 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.421 HD11 ' HD2' ' A' ' 32' ' ' ARG . 10.9 tp -63.07 -18.14 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.521 0.677 . . . . 0.0 110.06 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.75 -29.59 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.837 177.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.36 -52.79 9.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 111.408 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -75.41 110.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.048 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.9 mt -73.9 157.76 86.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.789 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.545 ' HB3' ' HA ' ' A' ' 35' ' ' HIS . 13.6 Cg_endo -56.18 136.15 73.69 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.794 2.329 . . . . 0.0 111.664 175.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 63.74 44.49 4.98 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.739 0.649 . . . . 0.0 111.361 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 m -135.98 133.63 37.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.63 134.6 11.22 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 173.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.2 164.1 28.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 111.876 -173.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.0 m -93.52 123.06 36.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.468 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.48 144.58 51.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.046 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.0 mt -102.98 113.65 27.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.006 0.432 . . . . 0.0 110.807 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 tp -94.31 83.21 4.17 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.29 -96.45 0.63 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.506 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.79 -5.71 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -100.35 139.23 36.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.599 -174.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -89.49 110.7 21.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.688 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.405 HG11 HD13 ' A' ' 106' ' ' LEU . 42.3 t -109.56 136.32 45.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.963 0.411 . . . . 0.0 110.75 -176.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.33 108.21 19.5 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.777 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.523 HD11 HD11 ' A' ' 106' ' ' LEU . 60.5 mt -87.62 108.79 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.743 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -102.8 123.39 46.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.777 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HD2' HD11 ' A' ' 10' ' ' ILE . 78.0 ttt180 -104.69 100.27 22.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 74.8 Cg_endo -84.74 -38.33 0.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.619 2.213 . . . . 0.0 113.135 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -93.87 165.6 12.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 41.4 t-80 -79.84 -21.15 44.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.994 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.9 m -84.67 -171.55 3.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.815 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.548 ' HB2' HG21 ' A' ' 99' ' ' VAL . 4.3 p-10 -78.96 68.37 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.847 0.832 . . . . 0.0 111.228 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.473 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 28.8 mm-40 -126.8 107.89 10.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.845 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.8 m -122.25 139.56 48.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.32 132.42 48.63 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.5 128.07 51.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.223 0.535 . . . . 0.0 111.839 -173.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 pt -128.28 176.85 6.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.644 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.1 t -64.23 126.45 27.79 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -73.18 -27.04 61.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.405 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.3 mm -109.58 129.74 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.609 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.3 OUTLIER -89.56 118.32 68.94 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.23 176.643 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -94.5 -0.9 2.83 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.001 2.467 . . . . 0.0 113.741 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -91.48 -57.54 2.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.135 0.493 . . . . 0.0 109.761 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 68.0 t80 -91.95 -5.66 52.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 61.83 74.92 0.43 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.766 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.609 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 10.0 m -117.23 153.02 33.61 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.706 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.467 ' HB2' ' H ' ' A' ' 53' ' ' VAL . 2.8 p -79.0 -145.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.933 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' H ' ' HB2' ' A' ' 52' ' ' SER . 29.0 m -68.15 127.01 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.427 0.632 . . . . 0.0 111.782 -174.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.56 -6.88 58.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.692 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 p -64.34 -22.26 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.436 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 2.0 ptm180 -86.11 40.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.917 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.57 164.73 24.62 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.75 -173.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 pp -96.25 145.14 25.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.976 0.417 . . . . 0.0 111.187 -173.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.56 131.46 60.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.188 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.6 161.43 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.436 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -125.75 136.22 52.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -95.98 -53.81 3.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.092 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -161.19 73.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.06 -27.18 3.13 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.043 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CD ' ' HD2' ' A' ' 78' ' ' ARG . 7.9 tp10 -88.58 135.67 33.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.56 130.21 49.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.392 -172.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.41 ' CZ3' ' HG2' ' A' ' 85' ' ' MET . 89.4 m95 -127.36 135.15 50.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.37 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.547 ' HB ' HD23 ' A' ' 79' ' ' LEU . 7.4 p -111.9 128.0 68.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.031 0.443 . . . . 0.0 110.063 176.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.17 114.69 29.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.22 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.768 ' HB3' HD13 ' A' ' 72' ' ' LEU . 16.9 m -89.77 116.43 66.33 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.702 -177.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.0 Cg_exo -74.2 23.52 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.715 2.943 . . . . 0.0 112.295 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' A' ' 70' ' ' SER . 6.8 mp -83.2 -18.05 40.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.602 0.715 . . . . 0.0 109.135 176.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 74' ' ' LYS . 14.3 tppt? -160.38 -83.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.753 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 73' ' ' LYS . 15.2 tptp -174.99 21.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 175.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -85.5 142.51 29.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.991 -170.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -124.58 134.87 52.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.424 0.631 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -118.95 145.09 46.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.18 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.563 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 19.1 ttp180 -93.72 90.11 6.45 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.547 HD23 ' HB ' ' A' ' 68' ' ' VAL . 2.2 pp -66.36 -13.38 60.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -170.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.411 ' OG ' ' HG2' ' A' ' 78' ' ' ARG . 8.7 p -64.39 -49.03 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.853 0.358 . . . . 0.0 111.02 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -119.77 4.31 11.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.956 0.408 . . . . 0.0 111.232 -178.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.75 38.29 24.19 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.906 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 78' ' ' ARG . 16.6 tp -98.28 145.66 26.43 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 51.9 m -103.68 143.86 32.21 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.41 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 58.9 mtp -64.58 -54.99 23.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.928 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.92 -41.29 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.383 0.611 . . . . 0.0 110.697 -177.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 84' ' ' CYS . 0.7 OUTLIER -82.14 10.4 6.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.975 -176.13 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.515 ' HG3' HD11 ' A' ' 83' ' ' LEU . 34.9 tt0 -33.73 -50.51 0.36 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.544 1.538 . . . . 0.0 114.526 -171.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -60.15 -26.64 66.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -113.71 -59.12 2.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.731 0.3 . . . . 0.0 110.272 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.567 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 64.9 m 63.05 179.76 0.15 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.292 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 m -94.54 178.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.558 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -77.95 126.06 30.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.909 0.385 . . . . 0.0 111.082 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -89.53 127.08 35.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.898 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -102.61 138.07 40.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -88.6 117.27 27.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.017 0.437 . . . . 0.0 110.16 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.54 156.78 27.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.239 -175.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -152.98 157.41 40.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.567 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 37' ' ' ASP . 46.2 t -99.9 103.84 15.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.193 0.52 . . . . 0.0 109.992 175.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -91.43 94.14 9.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.424 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 t70 60.31 24.22 13.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.262 174.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.8 4.62 34.01 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.152 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.578 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 33.4 t -118.26 141.51 37.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.984 0.392 . . . . 0.0 110.332 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 t -82.95 115.62 25.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.779 0.323 . . . . 0.0 110.773 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 10.5 mm100 -105.21 138.58 41.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.859 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.523 HD11 HD11 ' A' ' 30' ' ' ILE . 90.9 mt -121.81 123.58 42.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.894 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 107' ' ' ARG . 42.4 ttp85 -110.52 105.49 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.221 0.534 . . . . 0.0 109.566 171.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.642 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.469 177.903 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 75.3 m95 -61.63 103.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.981 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' HB3' ' HE2' ' A' ' 5' ' ' LYS . 47.2 mtpt -72.6 134.54 45.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.393 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -82.03 107.12 14.48 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.8 mm -87.12 -73.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.1 0.476 . . . . 0.0 110.939 -176.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 t -161.26 168.87 23.25 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 54.4 mmtt -69.06 148.79 49.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.502 HD11 ' HD2' ' A' ' 32' ' ' ARG . 10.7 tp -69.69 -13.85 17.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.66 0.743 . . . . 0.0 109.942 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.67 -27.14 67.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.865 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.78 -40.94 46.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.743 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.511 HD12 HG21 ' A' ' 104' ' ' VAL . 41.1 mt -90.48 109.37 20.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.36 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 83.1 mt -79.22 166.72 39.94 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 16.0 Cg_endo -59.48 144.58 99.38 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.306 2.004 . . . . 0.0 111.972 174.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 59' ' ' ILE . 43.0 mt-10 62.36 28.26 16.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.307 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 m -121.34 136.74 54.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.918 0.39 . . . . 0.0 111.284 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -121.28 143.04 15.83 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.28 157.5 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.845 0.322 . . . . 0.0 110.724 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -97.07 131.51 43.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.901 0.382 . . . . 0.0 110.858 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.33 178.34 7.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.654 176.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.31 138.44 54.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.917 0.389 . . . . 0.0 111.036 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.402 HD12 ' HB3' ' A' ' 106' ' ' LEU . 4.9 tt -141.03 101.4 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.62 -103.18 2.51 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -177.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -129.49 1.44 5.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.071 0.462 . . . . 0.0 110.084 174.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -103.09 144.75 30.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.823 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.424 ' H ' ' CD ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -86.24 124.6 32.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.852 176.182 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -109.05 133.32 54.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.427 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.02 114.46 27.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.851 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.523 HD11 HD11 ' A' ' 106' ' ' LEU . 46.2 mt -94.55 111.52 25.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.07 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.432 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 97.5 m-85 -108.37 125.5 51.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 -178.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.502 ' HD2' HD11 ' A' ' 10' ' ' ILE . 76.1 ttt180 -101.16 100.13 12.54 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.476 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 87.1 Cg_endo -86.7 -38.71 0.08 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.589 2.193 . . . . 0.0 113.005 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.417 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 96.6 m-85 -90.1 164.32 14.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.764 0.316 . . . . 0.0 110.423 -178.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 2.1 t60 -79.71 -9.54 59.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.196 0.522 . . . . 0.0 110.284 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -100.57 -155.7 0.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.15 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -82.15 0.75 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.72 0.408 . . . . 0.0 111.822 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.476 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 46.2 mt-30 -70.57 106.07 3.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.847 0.356 . . . . 0.0 110.739 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 m -126.83 154.44 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.873 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -140.47 149.55 42.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.43 140.78 47.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.942 0.401 . . . . 0.0 111.244 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.2 pt -139.98 173.4 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.66 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.61 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 13.9 p -64.35 134.18 54.11 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.551 HD21 HG12 ' A' ' 53' ' ' VAL . 66.7 t30 -80.62 6.15 13.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.634 -172.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.1 129.86 61.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.663 ' HB2' HD21 ' A' ' 54' ' ' LEU . 5.1 t70 -92.08 114.46 62.2 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 169.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.55 -1.57 9.67 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.475 2.117 . . . . 0.0 113.862 -174.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -91.51 -58.47 2.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.967 0.413 . . . . 0.0 110.349 -178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -96.01 -5.24 41.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.094 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 65.97 54.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.485 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 46' ' ' ASP . 13.1 p -102.53 129.77 49.17 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -12.27 60.02 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.551 HG12 HD21 ' A' ' 44' ' ' ASN . 13.7 m -128.69 123.94 60.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.235 -0.586 . . . . 0.0 112.171 175.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 46' ' ' ASP . 74.6 mt -92.64 -18.06 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 166.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -65.2 -12.93 56.48 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.384 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 6.8 tpm_? -99.01 41.24 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.492 0.663 . . . . 0.0 109.849 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.55 164.63 24.61 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.662 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.4 149.28 21.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.845 0.355 . . . . 0.0 110.755 -173.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 16' ' ' GLU . 66.1 mt -94.92 117.5 38.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.037 177.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.76 130.49 55.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.498 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HG2' ' H ' ' A' ' 62' ' ' HIS . 26.7 tt0 -77.34 171.64 14.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.884 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.42 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 17.4 t-80 -145.61 -85.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 174.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -129.49 76.06 1.7 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.77 -18.84 6.83 Favored Glycine 0 CA--C 1.517 0.216 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.725 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -88.69 142.52 27.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.333 -0.434 . . . . 0.0 109.838 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 95.2 mt -112.42 106.99 15.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.201 0.524 . . . . 0.0 109.726 174.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -96.63 148.67 22.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.02 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 8.2 p -98.84 127.5 51.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 171.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -112.32 123.78 51.03 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.945 -176.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.3 m -78.01 113.55 34.15 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.898 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.05 -6.81 16.94 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.865 2.377 . . . . 0.0 112.959 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 72' ' ' LEU . 6.1 mp -63.8 -37.37 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.004 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.941 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 4.8 mmpt? -146.46 -99.27 0.09 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.34 175.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -150.04 14.69 0.82 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.48 ' OE1' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -73.76 127.24 32.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.396 -175.203 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 76' ' ' ARG . 55.4 mtt180 -113.97 128.59 56.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.264 173.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.448 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 61.7 m-85 -116.68 126.99 54.0 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -83.85 115.43 22.25 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.48 -22.71 63.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.337 -172.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -60.31 -57.46 12.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.334 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.69 -28.31 12.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.383 -175.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.63 20.58 36.98 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -168.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 88' ' ' GLU . 7.3 tp -84.18 141.04 31.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.775 -0.712 . . . . 0.0 110.774 -177.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.664 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 41.0 m -85.21 146.02 27.3 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 172.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.4 ttt -57.78 -72.07 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.525 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -92.79 -25.58 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.165 0.507 . . . . 0.0 110.961 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.512 ' HB3' ' HD2' ' A' ' 90' ' ' PHE . 18.7 m-20 -85.0 10.5 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.277 -177.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.428 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.0 pt-20 -37.03 -35.05 0.09 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -176.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.36 -21.86 66.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.749 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.512 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 31.1 m-85 -93.96 -72.39 0.61 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.664 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 70.5 m 61.89 176.32 0.12 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.157 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.61 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 35.4 m -121.98 172.88 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.08 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HE2' ' CE1' ' A' ' 95' ' ' TYR . 7.6 ttpm? -85.57 131.6 34.33 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -88.68 143.45 26.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.068 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.452 ' CE1' ' HE2' ' A' ' 93' ' ' LYS . 66.6 m-85 -119.16 126.98 52.87 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.0 125.82 28.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.697 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -125.45 139.68 53.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.103 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -152.3 165.49 34.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.076 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.2 t -97.28 116.84 40.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.208 0.527 . . . . 0.0 110.839 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.633 ' HZ2' ' HB3' ' A' ' 100' ' ' LYS . 2.1 ttpm? -117.92 110.9 18.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.448 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 60.32 28.1 17.69 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 122.163 0.982 . . . . 0.0 109.59 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.59 -5.31 83.82 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.108 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 38.7 t -100.86 135.48 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.916 0.358 . . . . 0.0 110.474 -176.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 13' ' ' ILE . 43.7 t -74.43 118.64 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.319 177.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.541 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 11.8 mm100 -100.9 142.78 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.507 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.523 HD11 HD11 ' A' ' 30' ' ' ILE . 35.3 mt -122.92 124.71 43.82 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.468 0.48 . . . . 0.0 111.372 176.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -115.71 123.11 47.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 172.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.639 0 C-N-CA 120.002 -1.094 . . . . 0.0 112.796 -178.348 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.649 0.262 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.503 ' CE2' ' HD3' ' A' ' 107' ' ' ARG . 86.1 m95 -70.4 99.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -93.15 117.46 30.09 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.88 106.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.874 170.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.448 HD12 ' HB1' ' A' ' 21' ' ' ALA . 43.4 mm -80.99 -70.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.292 0.568 . . . . 0.0 110.644 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 t -159.15 169.53 23.98 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HG2' HG22 ' A' ' 103' ' ' VAL . 96.0 mttt -83.11 151.27 25.82 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.05 0.452 . . . . 0.0 110.528 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tp -66.24 -7.86 6.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.51 0.672 . . . . 0.0 110.551 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.35 -22.05 61.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.539 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.31 -38.83 13.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.083 0.468 . . . . 0.0 110.922 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.652 HD12 HG21 ' A' ' 104' ' ' VAL . 39.7 mt -81.39 99.09 4.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.244 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.1 166.03 48.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.626 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.37 142.27 88.66 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 60.2 28.25 17.82 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.423 0.689 . . . . 0.0 111.458 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -118.79 126.82 52.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.021 0.439 . . . . 0.0 111.231 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.574 ' HA2' ' HA ' ' A' ' 31' ' ' PHE . . . -105.46 134.79 12.24 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 171.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.09 172.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.902 0.351 . . . . 0.0 111.369 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.59 112.34 24.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.311 0.576 . . . . 0.0 111.007 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -103.12 117.89 35.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.455 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.69 107.9 17.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.906 0.384 . . . . 0.0 110.604 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.434 HD22 HD12 ' A' ' 106' ' ' LEU . 47.4 tp -107.82 101.97 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 174.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.3 -102.75 1.21 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -172.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -129.37 0.58 5.08 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 171.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.93 122.46 32.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.251 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -80.99 118.62 22.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.952 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 21' ' ' ALA . 44.8 t -99.47 132.05 45.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.026 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -99.48 107.72 19.99 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -100.56 103.79 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.967 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.574 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 88.9 m-85 -96.6 124.51 40.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.243 -177.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -98.43 99.71 7.86 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 166.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 48.6 Cg_endo -93.41 -1.61 3.35 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 123.072 2.515 . . . . 0.0 113.62 -173.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -128.22 175.96 8.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.404 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -83.61 -9.42 58.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.372 0.606 . . . . 0.0 109.573 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 p -88.92 -169.52 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.629 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -91.78 20.26 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 111.327 -177.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.438 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 17.7 mm100 -77.49 114.33 16.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.102 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 m -125.03 139.3 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.889 0.376 . . . . 0.0 110.539 -178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -124.26 124.01 41.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.07 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -108.71 124.37 50.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.406 -176.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.5 pt -130.14 -172.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.104 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.9 m -71.35 125.06 25.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.525 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 65.7 t30 -78.37 -24.57 46.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.035 0.445 . . . . 0.0 110.768 -176.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.3 mm -107.61 131.42 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.347 177.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.715 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 9.6 t70 -68.22 132.12 91.8 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.388 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 9.4 Cg_endo -91.58 -47.81 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.349 2.7 . . . . 0.0 114.13 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HB2' ' OD2' ' A' ' 87' ' ' ASP . 72.5 t80 -69.96 -47.04 63.88 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.325 0.583 . . . . 0.0 111.404 -173.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -98.37 -27.56 14.04 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.19 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.715 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 39.4 tt0 67.61 111.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.698 -176.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.521 ' N ' ' HB3' ' A' ' 46' ' ' ASP . 18.9 m -145.98 -177.03 5.38 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.47 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 m -86.92 -162.19 0.76 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.781 0.324 . . . . 0.0 110.829 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.37 140.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.928 -174.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.2 mt -86.29 -3.69 59.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.192 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t -62.07 -19.82 63.34 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.087 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -104.42 40.56 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.67 0.747 . . . . 0.0 109.905 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.43 164.57 24.58 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.488 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -97.33 146.18 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.009 0.433 . . . . 0.0 111.106 -171.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -101.08 122.32 53.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.295 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.95 -178.01 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.474 ' HG3' HD23 ' A' ' 66' ' ' LEU . 33.6 tt0 -118.78 139.95 50.75 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.668 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.482 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 27.6 t-80 -76.97 -60.26 2.43 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 7.3 tt0 170.41 81.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.446 -1.252 . . . . 0.0 107.656 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.32 -51.83 0.78 Allowed Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -171.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -96.43 145.7 25.43 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.76 0.314 . . . . 0.0 111.024 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.474 HD23 ' HG3' ' A' ' 61' ' ' GLU . 89.9 mt -94.36 138.86 31.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.994 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.437 ' HZ3' ' HB2' ' A' ' 85' ' ' MET . 14.1 m95 -127.75 146.2 50.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.212 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.486 ' HB ' HD21 ' A' ' 79' ' ' LEU . 9.3 p -96.85 134.72 33.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.039 0.447 . . . . 0.0 110.524 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -106.76 127.02 53.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.213 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 73' ' ' LYS . 15.2 t -87.49 127.13 59.74 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.856 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -85.34 -6.31 9.17 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.749 2.3 . . . . 0.0 111.224 171.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.9 mt -75.91 -46.57 29.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 70' ' ' SER . 0.1 OUTLIER -147.37 134.86 20.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 171.227 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -61.65 100.83 0.16 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.104 0.478 . . . . 0.0 110.442 -176.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.436 HE21 ' HG3' ' A' ' 86' ' ' GLU . 35.2 tt0 -168.33 153.27 6.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -174.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -127.44 143.47 51.2 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.423 0.63 . . . . 0.0 112.462 -174.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.474 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 32.4 m-85 -121.24 138.98 53.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.876 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.774 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 73.1 ttt180 -76.61 120.38 21.72 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.486 HD21 ' HB ' ' A' ' 68' ' ' VAL . 90.1 mt -73.8 -47.77 36.39 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -176.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -45.26 84.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.09 0.471 . . . . 0.0 111.663 -175.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.774 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 5.7 t70 -106.84 -48.17 3.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.978 -172.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.571 ' O ' HG22 ' A' ' 92' ' ' VAL . . . 118.71 -3.43 15.05 Favored Glycine 0 C--N 1.323 -0.193 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.004 -178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.8 tp -58.41 101.91 0.1 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.496 -0.352 . . . . 0.0 111.656 175.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 26.1 t -74.43 126.02 29.81 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 167.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.437 ' HB2' ' HZ3' ' A' ' 67' ' ' TRP . 11.8 ttt -62.62 -26.93 68.87 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.741 -0.383 . . . . 0.0 111.976 -170.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' HG3' HE21 ' A' ' 75' ' ' GLN . 49.1 mm-40 -92.55 -11.13 35.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 111.642 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 9.0 t0 -106.91 10.71 30.48 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -34.17 -36.65 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -172.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -61.37 -47.03 87.72 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -114.89 -38.49 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.539 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 42.7 m 71.68 -176.4 0.19 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.117 0.567 . . . . 0.0 111.01 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 82' ' ' GLY . 15.3 m -99.23 174.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.783 0.325 . . . . 0.0 110.604 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -85.25 109.56 18.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -86.89 121.69 29.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.925 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -96.31 164.47 12.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.699 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -100.88 113.15 25.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.552 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -120.67 142.67 49.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.549 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -147.04 151.5 37.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.17 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.3 t -96.06 92.36 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.15 0.5 . . . . 0.0 110.158 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -94.68 113.61 25.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.014 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 62.66 18.25 10.42 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.265 0.353 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.86 5.07 63.01 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.153 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 9' ' ' LYS . 67.4 t -111.29 126.69 68.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.744 0.307 . . . . 0.0 110.518 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.652 HG21 HD12 ' A' ' 13' ' ' ILE . 20.8 t -77.65 112.42 15.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.465 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 75.0 mt-30 -102.57 138.85 38.93 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.048 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.434 HD12 HD22 ' A' ' 23' ' ' LEU . 2.6 tm? -118.49 126.41 51.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.392 -176.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.503 ' HD3' ' CE2' ' A' ' 4' ' ' TRP . 6.5 ttp180 -117.98 136.64 53.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.922 174.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.649 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.438 177.625 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.718 0.294 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -70.05 107.77 3.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.998 174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -97.61 123.96 41.7 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.044 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.4 136.71 53.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 mm -102.89 -67.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.23 0.538 . . . . 0.0 109.779 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 p -158.46 -175.66 5.45 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 62.4 mttm -83.04 149.46 26.93 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.663 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.52 HD12 HG21 ' A' ' 99' ' ' VAL . 18.1 tt -71.1 -18.12 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.283 0.563 . . . . 0.0 110.465 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.26 -29.32 70.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.18 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.97 -24.59 63.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.97 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 mt -103.58 106.0 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.157 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.27 158.25 88.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.013 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.71 142.44 98.61 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.255 1.97 . . . . 0.0 111.302 174.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 70.09 24.48 5.0 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.827 0.704 . . . . 0.0 110.96 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -120.68 143.96 48.45 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.002 0.429 . . . . 0.0 111.27 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.09 143.7 15.29 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.03 175.11 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.709 0.29 . . . . 0.0 111.122 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -109.76 143.35 39.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.378 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.01 160.56 39.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.636 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.2 122.56 46.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.953 0.406 . . . . 0.0 110.995 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 tt -122.78 102.88 8.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.4 -100.76 0.83 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.405 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -123.77 -7.73 7.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.163 0.506 . . . . 0.0 109.965 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -93.06 129.12 39.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.893 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -81.57 122.61 27.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.768 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -111.25 138.47 39.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.227 -174.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.31 116.22 32.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.188 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.438 HD11 HD11 ' A' ' 106' ' ' LEU . 61.0 mt -98.86 115.14 38.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.172 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -111.97 124.77 53.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.359 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -111.74 100.01 46.91 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.494 ' HB2' HD13 ' A' ' 66' ' ' LEU . 55.8 Cg_endo -89.47 -35.72 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.539 2.159 . . . . 0.0 112.93 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -89.89 168.17 12.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.166 0.507 . . . . 0.0 111.313 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -86.09 -17.23 35.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.787 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 m -72.34 -171.79 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.588 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -89.07 5.26 45.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.025 0.441 . . . . 0.0 110.766 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -78.46 109.38 12.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.051 0.453 . . . . 0.0 110.768 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -115.35 160.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.205 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -128.44 133.82 48.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.777 0.322 . . . . 0.0 110.407 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.81 119.96 33.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.178 0.513 . . . . 0.0 111.167 -176.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.5 pt -124.77 175.3 7.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.679 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.0 t -62.77 133.98 55.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.647 HD21 HG12 ' A' ' 53' ' ' VAL . 67.0 t30 -89.33 -4.15 58.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.164 0.507 . . . . 0.0 110.563 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.34 124.98 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -175.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.763 ' HB2' HD21 ' A' ' 54' ' ' LEU . 6.1 t70 -89.29 126.01 59.99 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.872 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 2.9 Cg_endo -86.9 -8.41 6.83 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.089 2.526 . . . . 0.0 113.367 -177.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -85.39 -51.68 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.653 0.264 . . . . 0.0 111.032 -174.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.594 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 97.3 m-85 -105.47 -1.23 25.17 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 42.6 mt-10 62.1 60.19 1.53 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.306 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.584 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 47.6 t -102.23 143.15 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.769 -177.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 p -81.52 -23.38 37.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.996 -175.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.647 HG12 HD21 ' A' ' 44' ' ' ASN . 16.6 m -128.52 124.05 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.391 0.615 . . . . 0.0 112.456 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 46' ' ' ASP . 63.5 mt -92.48 -12.82 31.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.999 168.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 p -71.04 -1.59 12.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.859 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -93.75 40.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.74 164.69 24.67 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.853 -176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.68 144.91 28.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.689 0.28 . . . . 0.0 111.014 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.7 mt -90.14 127.72 42.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.156 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.38 139.16 28.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -89.37 135.26 33.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.625 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -88.53 -71.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -150.28 97.51 2.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.826 175.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.73 -46.93 3.56 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.722 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -88.87 138.67 31.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.494 HD13 ' HB2' ' A' ' 33' ' ' PRO . 90.3 mt -88.67 130.69 35.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.419 178.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.449 ' CE3' ' HG2' ' A' ' 76' ' ' ARG . 35.1 m95 -118.81 159.7 23.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.106 -177.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 p -115.48 134.4 58.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -109.99 116.66 31.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.043 0.449 . . . . 0.0 111.257 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 75' ' ' GLN . 40.5 t -85.11 124.24 72.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.077 177.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 5.0 Cg_exo -75.48 5.66 4.08 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.304 2.67 . . . . 0.0 113.0 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.72 -56.01 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.299 . . . . 0.0 110.55 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.594 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 32.7 tptt -146.65 27.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.914 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt 64.62 61.8 0.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.83 0.824 . . . . 0.0 110.199 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.531 ' HB2' ' HB3' ' A' ' 70' ' ' SER . 29.8 mt-30 -99.87 130.48 46.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.179 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.449 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 13.4 ttm180 -119.07 123.13 43.7 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.477 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -115.01 149.21 37.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.083 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.479 ' NH2' HD22 ' A' ' 83' ' ' LEU . 53.3 ttp180 -94.12 122.05 36.25 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.41 -8.77 57.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.059 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.3 m -58.46 -30.73 67.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 111.167 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -147.63 -70.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.103 0.478 . . . . 0.0 110.067 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.11 42.17 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.551 HD11 ' HG3' ' A' ' 88' ' ' GLU . 6.4 tp -101.99 149.52 24.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.291 -0.454 . . . . 0.0 110.42 -174.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 42.1 t -96.86 149.71 21.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -63.01 1.45 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.693 0.282 . . . . 0.0 111.019 -175.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -88.07 -32.48 18.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.218 0.532 . . . . 0.0 110.694 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 3.3 t0 -81.08 10.71 4.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.288 -175.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.551 ' HG3' HD11 ' A' ' 83' ' ' LEU . 42.0 tt0 -34.2 -38.69 0.07 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.218 1.007 . . . . 0.0 113.405 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.83 -41.49 87.02 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.422 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -137.96 83.91 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.5 . . . . 0.0 109.898 -177.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -97.91 -164.55 1.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.536 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -93.11 178.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.259 0.552 . . . . 0.0 112.099 -173.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -88.09 134.6 33.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.944 -174.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -105.8 127.86 53.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.261 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -106.65 146.72 30.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -80.72 137.47 36.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.58 148.61 50.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.709 0.29 . . . . 0.0 111.166 -177.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -146.68 158.97 44.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.942 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.52 HG21 HD12 ' A' ' 10' ' ' ILE . 95.2 t -114.14 110.39 31.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.195 0.521 . . . . 0.0 109.857 175.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -116.35 116.34 27.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.129 -176.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 61.73 25.64 15.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.283 0.564 . . . . 0.0 109.976 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.66 8.06 80.73 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.611 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 24.4 t -109.76 132.2 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.979 0.39 . . . . 0.0 110.552 -177.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.89 115.24 20.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -112.71 137.64 50.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.438 HD11 HD11 ' A' ' 30' ' ' ILE . 83.1 mt -112.77 138.84 48.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.022 0.439 . . . . 0.0 111.27 -177.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 107' ' ' ARG . 33.4 ttt-85 -123.28 141.98 51.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.483 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.73 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.168 176.341 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.609 HE22 HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 121.199 0.523 . . . . 0.0 110.587 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -67.17 116.52 8.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.092 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 36.0 mmtm -97.5 123.56 41.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.045 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.27 100.45 5.1 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.6 mm -85.75 -82.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.467 0.651 . . . . 0.0 110.906 -174.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 81.8 m -146.64 -165.27 2.19 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 6.3 mtpm? -100.14 159.19 15.3 Favored 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.925 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.9 tt -72.27 -10.3 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.73 0.776 . . . . 0.0 109.578 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.79 -19.87 61.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.965 175.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -81.94 -18.08 44.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.929 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 mt -113.61 125.95 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.984 0.421 . . . . 0.0 110.681 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 88.5 mt -89.04 165.9 24.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.664 -177.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 19.9 Cg_endo -61.43 132.88 43.01 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.218 1.945 . . . . 0.0 111.638 174.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' OE1' ' HB2' ' A' ' 15' ' ' PRO . 2.7 mp0 60.71 42.45 13.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.809 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -135.08 157.51 46.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.678 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.46 143.82 15.6 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.174 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -123.59 169.8 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.506 0.193 . . . . 0.0 110.59 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.1 m -109.03 129.23 55.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.656 0.265 . . . . 0.0 110.49 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.46 155.22 47.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.731 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.16 112.11 23.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.984 0.421 . . . . 0.0 110.886 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.609 HD21 HE22 ' A' ' 3' ' ' GLN . 10.1 tt -106.98 96.99 6.83 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.09 -100.41 0.64 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.348 -0.929 . . . . 0.0 110.816 -173.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -122.99 6.97 9.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 171.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -84.8 115.03 22.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.199 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -80.07 102.42 9.3 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 106' ' ' LEU . 42.1 t -106.33 137.35 37.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.079 -172.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . . . -104.33 112.68 25.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.681 175.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.447 HD11 HD11 ' A' ' 106' ' ' LEU . 43.0 mt -90.76 107.69 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.73 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.23 129.62 48.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -104.25 99.86 19.12 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 167.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 75.5 Cg_endo -89.74 -29.81 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.84 2.36 . . . . 0.0 112.946 -176.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -99.77 155.97 17.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -72.82 -16.31 61.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.309 0.576 . . . . 0.0 110.145 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -90.11 -153.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.169 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -85.97 0.74 52.48 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.618 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.454 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 9.2 tt0 -78.48 102.97 8.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.484 -175.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -119.08 156.67 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.52 135.55 40.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.077 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.86 131.93 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.819 0.342 . . . . 0.0 110.83 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.7 pt -138.31 178.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.678 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -67.9 132.2 46.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.63 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 28.5 p-10 -81.23 -17.4 49.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.948 -176.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 51' ' ' SER . 71.4 mt -111.61 117.29 54.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.001 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.75 ' HB3' ' HZ ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -70.57 133.76 86.73 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.467 175.683 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 16.6 Cg_exo -67.93 -49.85 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.437 2.758 . . . . 0.0 114.453 -169.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -91.59 -39.72 11.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.146 0.498 . . . . 0.0 110.353 -173.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.679 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 7.5 t80 -74.46 -29.42 61.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.313 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 59.59 59.88 2.43 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 173.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 3.9 m -102.9 161.91 13.36 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 168.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -93.29 -48.81 6.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.55 124.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 61.5 mt -92.31 -19.51 22.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.85 170.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 m -64.22 -27.16 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.093 -174.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.33 40.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.832 0.349 . . . . 0.0 110.749 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.67 164.58 24.65 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.6 pt? -91.33 151.9 20.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.978 0.418 . . . . 0.0 110.887 -175.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -106.51 120.66 58.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.46 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -123.65 152.48 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.839 0.352 . . . . 0.0 111.211 -176.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -85.1 126.06 33.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.891 177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -85.39 -76.19 0.33 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.273 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -132.15 11.84 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.436 0.636 . . . . 0.0 109.386 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.21 -30.43 1.75 Allowed Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.873 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.05 149.01 21.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 97.8 mt -93.53 122.87 36.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.158 0.504 . . . . 0.0 111.121 -177.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -111.97 132.77 54.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.978 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.51 137.29 24.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -129.37 117.99 21.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.491 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 17.1 m -82.49 138.4 44.59 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.946 177.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.3 Cg_exo -72.82 21.86 0.31 Allowed 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.609 2.873 . . . . 0.0 113.456 -175.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.44 -84.17 0.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.711 0.291 . . . . 0.0 110.226 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -112.31 26.76 10.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.749 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt 63.73 30.33 14.71 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.741 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 4.2 pt20 -63.49 142.21 58.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.092 -178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -123.5 121.44 35.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.558 -172.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.75 ' HZ ' ' HB3' ' A' ' 46' ' ' ASP . 42.4 m-85 -123.34 131.9 53.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 111.181 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -88.46 104.69 17.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.075 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.18 -22.88 66.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.301 -174.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -58.43 -49.03 78.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.558 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -126.82 -8.52 6.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.482 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.78 12.22 53.55 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.992 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -75.21 136.01 41.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.665 -0.315 . . . . 0.0 110.733 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 87' ' ' ASP . 51.9 t -97.09 153.76 17.75 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -44.03 16.24 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -77.41 -46.38 22.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.554 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 5.1 m-20 -87.19 9.97 18.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.357 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -34.04 -47.34 0.27 Allowed 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -166.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -61.78 -31.46 71.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.231 0.469 . . . . 0.0 111.853 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -104.15 -58.08 1.94 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.18 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.9 m 62.87 -172.78 0.16 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.576 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.95 167.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.104 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 33.1 mmtm -83.37 130.9 35.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.188 0.518 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -84.94 112.48 20.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.518 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.536 ' CD1' ' HA3' ' A' ' 108' ' ' GLY . 31.1 m-85 -98.95 138.62 35.8 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -79.78 115.72 19.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.278 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.05 131.44 55.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.129 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -131.82 159.59 38.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.546 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.7 t -106.76 97.15 5.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.796 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -95.63 106.04 18.1 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.286 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.8 t70 66.46 3.38 2.82 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.41 0.624 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.03 4.39 25.89 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.907 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 67.2 t -104.84 137.72 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.5 t -82.37 116.21 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 63.9 mt-30 -114.7 132.76 56.3 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.504 175.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.483 HD13 HG11 ' A' ' 28' ' ' VAL . 93.9 mt -108.87 136.94 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.322 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -122.58 113.89 19.89 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 172.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.536 ' HA3' ' CD1' ' A' ' 95' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.916 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.071 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 121.003 0.43 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 98.7 m95 -69.52 101.97 1.72 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.443 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -83.27 110.56 18.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.702 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.83 ' HB3' HE21 ' A' ' 105' ' ' GLN . 7.9 p-10 -75.7 123.85 26.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.214 0.53 . . . . 0.0 110.044 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 mm -93.59 -78.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.349 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.4 m -142.53 -168.44 2.74 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 63.5 mttp -88.93 157.84 18.27 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.562 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 tp -70.26 -11.74 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.6 0.714 . . . . 0.0 109.804 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -74.93 -28.6 60.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.9 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.34 -34.81 78.81 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.219 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.486 HD12 HG21 ' A' ' 104' ' ' VAL . 22.6 mt -104.03 92.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.133 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.843 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -70.98 167.13 31.41 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.35 178.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 73.9 Cg_exo -52.06 141.5 47.36 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.571 2.181 . . . . 0.0 112.873 178.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE2' ' HE1' ' A' ' 35' ' ' HIS . 1.4 mp0 54.51 46.71 24.32 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.538 -178.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.65 ' OG1' ' HG ' ' A' ' 14' ' ' LEU . 33.7 m -132.14 136.63 47.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.045 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -121.45 126.83 6.67 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.69 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 m -116.76 152.05 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.975 0.416 . . . . 0.0 110.942 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 p -94.74 120.32 34.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.82 167.78 17.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.97 138.2 52.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.22 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 tt -125.42 95.04 4.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.4 -89.01 0.61 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.622 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -128.03 -8.87 5.41 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 149.9 21.72 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.123 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.45 107.11 19.24 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.511 HG11 HD13 ' A' ' 106' ' ' LEU . 38.6 t -108.82 128.68 64.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.058 0.456 . . . . 0.0 111.107 -172.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -96.32 121.14 37.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.626 176.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.447 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 28.5 mt -100.82 120.15 49.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 81.2 m-85 -121.12 120.55 35.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.832 -174.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -97.71 99.9 7.45 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 66.1 Cg_endo -90.87 1.92 4.82 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.201 2.601 . . . . 0.0 113.487 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -133.58 177.08 7.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.957 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.5 ' HE1' ' OE2' ' A' ' 16' ' ' GLU . 3.3 m-70 -89.82 -8.04 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.6 p -88.66 -159.62 0.58 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.36 -176.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -90.81 8.29 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.136 -176.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -84.04 118.89 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.971 -177.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.71 145.41 35.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.417 ' CD2' ' HG3' ' A' ' 33' ' ' PRO . 34.3 m-85 -121.01 153.19 37.67 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 95' ' ' TYR . . . -131.12 135.66 47.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.606 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.6 pt -140.17 178.08 3.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.122 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.9 m -59.98 128.0 34.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.471 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 55.7 t30 -83.1 -31.23 27.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.305 -0.407 . . . . 0.0 112.032 -173.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.574 HG23 ' O ' ' A' ' 51' ' ' SER . 36.8 mm -93.55 139.3 18.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.474 ' HB2' ' H ' ' A' ' 51' ' ' SER . 9.9 m-20 -57.14 105.83 0.59 Allowed Pre-proline 0 N--CA 1.468 0.459 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 172.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 35.1 Cg_exo -57.34 -65.28 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 123.254 2.636 . . . . 0.0 113.552 -166.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -88.94 -10.74 46.64 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.856 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 5.8 t80 -94.17 -18.64 21.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.097 -176.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 67.68 35.32 4.08 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.817 0.447 . . . . 0.0 111.929 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 45' ' ' ILE . 67.6 m -102.4 -165.78 1.22 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.955 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -92.44 -151.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.165 0.507 . . . . 0.0 111.834 -171.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 m -76.16 135.29 27.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.518 -172.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 58.2 mt -74.92 -10.35 59.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.396 176.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -66.75 -14.37 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.765 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 51.8 ttm-85 -97.39 40.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.578 0.704 . . . . 0.0 109.31 175.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.84 164.66 24.7 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.843 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.758 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.5 pt? -99.85 151.7 20.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.823 0.344 . . . . 0.0 111.033 -175.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.6 mt -104.43 121.05 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.754 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -125.51 139.21 53.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.163 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -86.9 129.19 34.98 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.008 0.432 . . . . 0.0 110.693 -177.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -77.64 -56.34 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 5.9 tp60 176.31 86.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.78 -32.02 3.52 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.527 -172.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.85 139.1 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.347 0.259 . . . . 0.0 110.351 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.46 HD13 ' HB2' ' A' ' 33' ' ' PRO . 65.4 mt -105.71 114.77 29.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.899 0.38 . . . . 0.0 110.463 178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.411 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 44.5 m95 -110.39 144.07 39.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.421 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.33 143.18 22.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.26 128.49 41.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.799 0.333 . . . . 0.0 111.518 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 p -82.83 119.64 74.81 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.794 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.65 2.35 2.52 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.93 2.42 . . . . 0.0 113.01 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 51' ' ' SER . 6.6 mp -77.29 -30.27 54.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.205 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 62.3 tttp -136.75 -16.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.646 175.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 67.82 42.37 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.013 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -87.25 142.68 27.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.367 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -99.49 121.54 41.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.979 0.418 . . . . 0.0 111.749 -174.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.42 ' HD2' ' HG ' ' A' ' 84' ' ' CYS . 18.2 m-85 -115.05 123.42 48.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.466 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.404 HH21 ' CG ' ' A' ' 81' ' ' ASP . 46.1 ttp180 -87.49 100.62 12.9 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.08 -11.11 46.47 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.25 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -64.56 -48.68 74.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 19.0 p-10 -118.66 -28.73 5.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.338 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 91' ' ' SER . . . 108.71 13.6 18.05 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.426 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.0 tp -83.77 137.6 33.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.991 0.424 . . . . 0.0 111.287 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 38.6 m -102.36 133.66 46.92 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 172.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 23.1 ttt -71.94 -30.3 65.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.947 0.403 . . . . 0.0 111.234 -175.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -92.58 -32.3 14.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.345 0.593 . . . . 0.0 110.749 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 84' ' ' CYS . 20.1 t70 -106.74 10.44 30.87 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.567 -169.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -36.9 -32.77 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -171.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.24 -35.42 73.65 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.221 0.464 . . . . 0.0 111.162 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -111.46 -61.26 1.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.681 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.661 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 47.2 m 63.24 -169.12 0.19 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.731 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.0 m -106.75 163.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -92.46 139.69 30.33 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.406 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 36.8 t-80 -87.42 134.07 33.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.994 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.475 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 63.3 m-85 -118.51 145.0 45.65 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 175.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.52 142.88 27.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.887 0.375 . . . . 0.0 110.816 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.03 151.18 51.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -144.17 156.73 44.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.7 t -105.45 102.06 13.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -93.54 106.92 18.84 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 p30 47.79 24.98 0.64 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.02 0.928 . . . . 0.0 112.595 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.26 -9.02 26.81 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.994 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 11.7 t -101.18 132.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.941 0.37 . . . . 0.0 110.774 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.486 HG21 HD12 ' A' ' 13' ' ' ILE . 22.2 t -80.0 121.37 33.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.42 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.83 HE21 ' HB3' ' A' ' 6' ' ' ASP . 74.2 mt-30 -120.18 136.53 54.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.732 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.511 HD13 HG11 ' A' ' 28' ' ' VAL . 81.5 mt -112.67 137.68 50.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.305 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -115.39 106.16 13.67 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.814 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.176 -179.053 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.592 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 96.1 m95 -75.48 83.68 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 171.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -78.97 134.56 36.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.545 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -73.25 140.25 46.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.407 HG22 ' SG ' ' A' ' 8' ' ' CYS . 35.0 mm -113.38 -71.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.19 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' SG ' HG22 ' A' ' 7' ' ' ILE . 62.5 m -144.4 173.64 11.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.724 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -90.04 136.95 32.73 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.458 HD12 HG21 ' A' ' 99' ' ' VAL . 15.6 tt -65.92 -16.14 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.031 0.444 . . . . 0.0 111.324 -174.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -25.26 64.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.471 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -82.29 -33.53 29.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.115 0.483 . . . . 0.0 110.949 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.1 mt -85.55 105.77 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.71 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.41 165.78 47.95 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.717 ' HG3' ' HB3' ' A' ' 35' ' ' HIS . 44.9 Cg_exo -56.01 136.27 74.03 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.497 2.132 . . . . 0.0 112.279 176.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 63.5 43.58 5.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.526 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.6 m -129.94 140.59 50.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.297 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.09 143.71 15.8 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.991 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 m -124.37 160.11 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.781 0.324 . . . . 0.0 110.66 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -105.96 130.91 53.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.235 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.32 163.8 30.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 0.0 110.893 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 tt -117.97 121.96 42.01 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.84 93.08 4.32 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.63 -82.67 0.48 Allowed Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.908 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.3 -20.8 6.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.106 0.479 . . . . 0.0 111.254 -175.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 26' ' ' GLU . 2.4 pt-20 -116.93 151.23 37.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.142 -170.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.434 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . 16.0 mm-40 -84.94 127.27 34.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.874 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.507 HG11 HD13 ' A' ' 106' ' ' LEU . 22.5 t -123.82 130.28 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.934 0.397 . . . . 0.0 110.702 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 41' ' ' ALA . . . -102.27 124.63 48.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.076 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.51 HD11 HD11 ' A' ' 106' ' ' LEU . 51.0 mt -106.31 119.18 55.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 84.9 m-85 -113.47 128.13 56.34 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.336 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -105.56 100.06 24.58 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 171.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 55.7 Cg_endo -91.07 -24.88 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.954 2.436 . . . . 0.0 112.533 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -107.48 127.8 53.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.911 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.717 ' HB3' ' HG3' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -77.55 25.44 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 177.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.7 m -104.55 -96.6 0.32 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.076 173.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -148.22 18.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.186 0.517 . . . . 0.0 110.824 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -105.25 116.44 31.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.529 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.94 151.65 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.791 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.59 148.17 44.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.451 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -134.81 129.24 34.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.809 0.338 . . . . 0.0 110.67 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.4 pt -136.24 -177.47 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.894 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.523 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 13.9 m -62.48 127.59 32.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 10.5 t30 -76.16 -28.68 57.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 51' ' ' SER . 38.8 mm -96.13 134.12 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.58 -176.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.627 ' OD1' ' HB2' ' A' ' 51' ' ' SER . 2.7 m-20 -58.54 122.27 59.31 Favored Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 171.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.86 -73.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.77 2.313 . . . . 0.0 113.366 -175.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.72 -25.64 18.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.625 0.25 . . . . 0.0 111.558 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 64.1 t80 -75.53 -28.38 59.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.396 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 61.62 95.19 0.04 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.435 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.627 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 75.0 m -148.97 173.8 12.96 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.447 ' O ' HD13 ' A' ' 45' ' ' ILE . 5.8 p -90.28 -51.47 5.42 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -170.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -128.96 124.46 60.99 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -171.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -92.31 -7.72 47.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.224 171.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.53 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 3.3 p -82.53 1.31 38.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.509 -174.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 mtp-105 -109.39 40.94 1.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.392 . . . . 0.0 110.828 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.69 164.66 24.66 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.727 HD23 ' H ' ' A' ' 58' ' ' LEU . 1.6 pt? -90.88 140.75 29.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.98 0.419 . . . . 0.0 111.364 -174.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 52.7 mt -96.5 125.74 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.753 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.25 152.7 51.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.966 0.412 . . . . 0.0 111.299 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 64' ' ' GLY . 0.2 OUTLIER -99.4 144.74 28.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 176.564 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -145.02 -19.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -169.99 28.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.923 0.392 . . . . 0.0 112.025 -173.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.453 ' H ' ' CD ' ' A' ' 61' ' ' GLU . . . 89.39 13.51 61.5 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -176.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -134.17 142.56 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.828 0.347 . . . . 0.0 110.366 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.24 102.73 15.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.616 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -99.76 122.52 42.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.359 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.479 ' HB ' HD23 ' A' ' 79' ' ' LEU . 7.6 p -100.12 130.43 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -117.16 112.46 20.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.973 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.614 ' HB3' HD13 ' A' ' 72' ' ' LEU . 18.5 m -78.8 125.53 83.98 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.775 175.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.3 Cg_exo -73.43 10.16 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.245 2.63 . . . . 0.0 113.367 -174.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 70' ' ' SER . 7.6 mp -65.47 -63.84 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 110.382 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -136.31 22.59 3.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.683 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.0 tttt 62.61 77.61 0.32 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.586 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.81 ' HG3' ' HE1' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -115.0 131.55 56.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.112 179.301 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -103.45 115.68 30.99 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.988 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.81 ' HE1' ' HG3' ' A' ' 75' ' ' GLN . 97.3 m-85 -118.21 133.16 56.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.259 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -91.51 92.1 8.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.479 HD23 ' HB ' ' A' ' 68' ' ' VAL . 3.3 pp -72.3 -12.57 61.2 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -172.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 p -74.87 -1.35 21.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.105 0.479 . . . . 0.0 110.859 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -149.79 -45.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.051 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.24 -17.79 8.45 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.923 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.1 tp -57.62 128.38 36.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.217 0.532 . . . . 0.0 111.274 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.1 m -103.95 124.61 49.3 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.6 ttt -67.06 -20.72 65.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.733 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -83.15 -46.88 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.23 0.538 . . . . 0.0 110.923 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -103.28 10.36 37.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.951 -170.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -34.02 -37.3 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.338 1.606 . . . . 0.0 115.338 -170.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.81 -25.08 62.82 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.982 0.42 . . . . 0.0 111.544 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -124.44 -57.36 1.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.928 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.2 m 65.49 177.05 0.21 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.013 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.523 ' HB ' ' HB2' ' A' ' 43' ' ' SER . 34.5 m -91.36 167.31 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.072 176.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -92.59 127.16 37.99 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.982 0.42 . . . . 0.0 110.619 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -90.5 150.49 21.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.722 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -113.49 169.06 9.24 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -101.45 135.48 42.88 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -136.31 145.51 45.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.979 0.418 . . . . 0.0 111.846 -174.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.592 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 11.0 ptm180 -151.15 145.44 25.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.951 174.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.458 HG21 HD12 ' A' ' 10' ' ' ILE . 52.1 t -86.32 103.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.365 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.632 ' HB2' ' HG3' ' A' ' 105' ' ' GLN . 1.7 ttpm? -91.41 108.12 19.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.478 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 p30 52.7 18.78 1.08 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.829 0.851 . . . . 0.0 112.75 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.84 -8.94 27.66 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.661 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.3 t -101.85 134.94 40.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.6 118.54 20.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.479 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.632 ' HG3' ' HB2' ' A' ' 100' ' ' LYS . 6.2 mm100 -110.24 133.62 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 30' ' ' ILE . 72.7 mt -117.44 134.81 54.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.693 0.282 . . . . 0.0 110.868 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -111.11 120.95 44.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.985 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.504 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.09 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.562 ' O ' ' HA ' ' A' ' 107' ' ' ARG . 20.3 mp0 . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.509 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 95.5 m95 -84.82 85.76 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 169.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -71.56 108.99 5.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.207 -178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.07 121.02 14.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.641 174.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.8 mm -96.76 -70.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.088 -175.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -154.22 -161.92 1.32 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HE2' ' OD1' ' A' ' 11' ' ' ASP . 47.9 mtpt -104.28 164.15 11.93 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.667 -176.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -73.28 -10.05 13.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.844 0.831 . . . . 0.0 108.969 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.494 ' OD1' ' HE2' ' A' ' 9' ' ' LYS . 2.5 m-20 -74.18 -36.26 64.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.528 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.51 -4.26 55.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.112 0.482 . . . . 0.0 110.637 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.595 HD12 HG21 ' A' ' 104' ' ' VAL . 35.6 mt -105.49 91.71 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.307 0.575 . . . . 0.0 109.55 173.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.98 146.04 97.49 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.35 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 46.4 Cg_exo -57.1 129.82 36.38 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.524 2.149 . . . . 0.0 112.036 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 15' ' ' PRO . 92.3 mt-10 75.54 32.81 0.69 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.041 0.838 . . . . 0.0 110.74 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -133.37 154.82 50.42 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.494 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.83 144.38 18.16 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.44 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.409 HG11 HG12 ' A' ' 13' ' ' ILE . 35.9 m -120.01 150.01 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.117 0.484 . . . . 0.0 111.248 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -88.16 115.0 25.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.002 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.81 166.75 15.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.826 0.346 . . . . 0.0 110.573 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 27' ' ' GLN . 96.8 mt -131.06 122.3 26.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.485 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.31 91.98 8.97 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 171.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.58 -90.57 0.75 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 -169.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.21 -10.04 5.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.67 0.271 . . . . 0.0 110.4 172.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -76.71 126.2 30.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 110.543 -176.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.72 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . 23.3 mp0 -69.13 116.48 9.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.249 -176.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.479 HG11 HD13 ' A' ' 106' ' ' LEU . 59.6 t -118.97 130.86 73.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.089 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -99.37 111.68 24.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.214 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.521 HD11 HD11 ' A' ' 106' ' ' LEU . 60.3 mt -95.31 109.7 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.001 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 98.6 m-85 -104.25 125.6 50.65 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -108.45 99.77 34.57 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 168.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HB2' HD13 ' A' ' 66' ' ' LEU . 72.8 Cg_endo -92.89 -24.0 0.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.538 2.159 . . . . 0.0 112.689 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -99.35 159.87 14.69 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.051 0.453 . . . . 0.0 110.544 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -90.28 3.43 53.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.953 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -95.09 -173.84 3.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.949 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -86.15 69.81 10.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.624 0.25 . . . . 0.0 110.68 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -148.0 135.95 21.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.713 0.292 . . . . 0.0 110.585 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.0 m -138.13 153.68 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.344 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -120.58 129.88 53.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.873 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.55 119.62 35.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.16 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' LYS . 39.4 pt -130.78 -178.77 2.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.264 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 m -62.4 130.06 43.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.72 ' HB3' ' HB3' ' A' ' 27' ' ' GLN . 63.4 t30 -83.85 -18.7 36.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 111.142 -175.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.3 mm -116.24 140.89 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' HB3' ' H ' ' A' ' 51' ' ' SER . 8.8 t70 -68.8 122.51 85.2 Favored Pre-proline 0 N--CA 1.469 0.494 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 174.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.27 -55.94 0.84 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.99 2.46 . . . . 0.0 114.367 -172.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -91.3 -37.63 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.798 0.332 . . . . 0.0 111.823 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -79.34 -22.98 43.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.775 0.321 . . . . 0.0 110.333 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 50' ' ' GLU . 5.6 mm-40 62.53 72.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.783 0.801 . . . . 0.0 110.798 -178.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.425 ' H ' ' HB3' ' A' ' 46' ' ' ASP . 10.6 t -102.49 -165.85 1.22 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 174.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -106.3 -154.76 0.53 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 44' ' ' ASN . 34.3 m -68.33 124.56 24.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.896 0.855 . . . . 0.0 111.049 -174.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.1 mt -84.38 -16.1 44.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.208 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.574 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 5.2 p -68.27 -13.64 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.045 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -98.5 40.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.671 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.63 164.81 24.63 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.107 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.812 HD23 ' H ' ' A' ' 58' ' ' LEU . 1.9 pt? -86.76 137.09 32.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.962 0.41 . . . . 0.0 111.042 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.2 mt -97.83 119.44 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.887 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.33 141.16 43.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.912 0.387 . . . . 0.0 110.694 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HG2' ' H ' ' A' ' 63' ' ' GLN . 42.0 tt0 -87.63 118.25 26.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.896 177.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -94.62 36.24 1.18 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.543 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 22.6 tp60 64.54 83.29 0.17 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.659 -177.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.36 -65.73 0.26 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.759 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -90.94 145.73 24.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.897 0.38 . . . . 0.0 110.495 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 33' ' ' PRO . 78.5 mt -106.66 125.2 50.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.658 -177.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -116.68 131.65 56.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.941 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.61 133.36 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -115.44 130.85 57.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.682 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB3' ' O ' ' A' ' 73' ' ' LYS . 33.3 t -82.32 137.07 45.68 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.119 179.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HD2' HD12 ' A' ' 72' ' ' LEU . 5.3 Cg_exo -76.46 -19.22 15.1 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.922 2.415 . . . . 0.0 112.07 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.433 HD12 ' HD2' ' A' ' 71' ' ' PRO . 5.3 mp -78.62 -64.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 70' ' ' SER . 57.0 tptt -114.08 144.56 42.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 174.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -76.03 61.25 1.51 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.905 0.859 . . . . 0.0 110.995 -174.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.514 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -92.29 145.79 24.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.065 178.404 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.55 121.85 23.9 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 75' ' ' GLN . 33.5 m-85 -119.0 134.78 54.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 -177.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -84.66 113.88 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.5 -25.38 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.05 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m -57.71 -48.69 78.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.095 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -125.53 -19.57 4.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.74 15.24 37.61 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.221 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.6 tp -72.98 134.63 44.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.782 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 59.1 m -88.68 138.94 30.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.8 ttt -58.24 -70.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -92.85 -19.25 21.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.471 0.653 . . . . 0.0 110.838 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.49 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 2.7 m-20 -94.12 10.62 33.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.373 -175.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -34.04 -39.93 0.08 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -59.34 -28.5 66.89 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 111.638 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -119.16 41.63 3.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.448 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.782 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 68.1 m -60.91 163.8 5.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.116 0.484 . . . . 0.0 111.711 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.6 m -90.9 172.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.398 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 88.2 tttt -93.2 135.23 34.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 -176.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -95.34 119.38 33.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.055 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -95.37 146.53 24.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 17.6 mm-40 -80.71 107.26 13.37 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -177.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.04 142.82 46.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.578 -173.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.509 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 9.9 ptm180 -150.63 162.03 41.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.03 175.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.14 115.69 38.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -114.94 113.33 24.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.383 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 64.76 12.59 7.78 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.412 0.445 . . . . 0.0 110.887 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.72 5.49 57.62 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.047 -174.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 46.8 t -112.22 135.21 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.595 HG21 HD12 ' A' ' 13' ' ' ILE . 24.9 t -78.02 120.64 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.787 0.327 . . . . 0.0 111.201 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -108.7 133.4 52.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.182 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 30' ' ' ILE . 68.3 mt -117.02 113.92 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.955 0.159 . . . . 0.0 110.83 176.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 36.7 ttp85 -96.69 109.47 22.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.963 0.411 . . . . 0.0 109.978 174.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.663 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.072 178.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.442 0.639 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.482 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 67.3 m95 -63.85 109.95 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.674 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 78.6 tttt -82.2 128.15 33.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.81 120.87 23.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.331 0.586 . . . . 0.0 109.481 175.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -86.13 -67.33 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.077 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 t -157.95 171.31 20.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.545 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -76.79 143.58 39.74 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.529 HD12 HG21 ' A' ' 99' ' ' VAL . 14.2 tt -69.7 -7.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.36 0.6 . . . . 0.0 110.511 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.72 -19.81 61.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.607 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.12 -18.2 32.95 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.319 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mt -109.56 106.46 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.356 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 92.7 mt -73.39 167.86 30.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.565 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 48.2 Cg_endo -68.85 147.92 69.75 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 121.887 1.725 . . . . 0.0 111.717 175.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 63.45 30.62 15.3 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.952 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.5 p -132.4 163.96 27.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -136.62 143.46 14.84 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.017 178.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.23 177.69 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.006 0.431 . . . . 0.0 111.166 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.89 134.86 55.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.189 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.11 174.03 11.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.059 0.456 . . . . 0.0 111.164 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.51 125.99 42.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.488 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD12 ' HB2' ' A' ' 106' ' ' LEU . 8.8 tt -120.24 103.4 9.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.2 -105.53 1.52 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.777 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.59 -12.23 13.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -93.74 132.89 37.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.587 -174.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.454 ' HB3' HD21 ' A' ' 44' ' ' ASN . 51.1 mt-30 -81.18 140.45 34.96 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 106' ' ' LEU . 42.6 t -133.04 148.49 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 111.182 -174.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.689 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . . . -112.18 123.05 49.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.402 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.49 HD11 HD11 ' A' ' 106' ' ' LEU . 62.4 mt -106.59 119.88 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.114 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.455 ' CD1' ' HA3' ' A' ' 18' ' ' GLY . 97.6 m-85 -115.64 133.86 55.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.72 0.295 . . . . 0.0 110.808 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -108.76 99.79 36.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HB2' HD13 ' A' ' 66' ' ' LEU . 67.5 Cg_endo -98.24 7.15 1.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.348 2.699 . . . . 0.0 113.109 -177.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -123.98 164.14 19.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.965 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -84.67 -17.94 36.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 p -77.43 -165.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.469 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.54 30.98 3.01 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.086 0.47 . . . . 0.0 110.238 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -96.45 118.31 32.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.56 157.45 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.21 177.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -133.4 149.99 51.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -127.93 131.14 49.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.104 0.478 . . . . 0.0 111.584 -176.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.9 pt -130.76 179.16 4.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.851 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.9 m -69.35 118.12 11.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.689 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 31.8 p-10 -76.72 -30.69 56.76 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.7 mm -101.29 108.39 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.579 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -74.61 142.9 78.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.453 -175.077 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 87.2 Cg_endo -96.24 1.12 2.07 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.786 2.324 . . . . 0.0 114.088 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -91.49 -59.44 2.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.276 0.56 . . . . 0.0 110.131 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -94.3 -28.61 15.48 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 43.4 mt-10 68.34 69.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.036 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.8 p -105.59 -165.63 1.13 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.179 173.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.461 ' HB2' ' H ' ' A' ' 53' ' ' VAL . 1.8 p -92.59 -153.63 0.35 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.812 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.485 HG12 ' ND2' ' A' ' 44' ' ' ASN . 35.9 m -68.18 124.59 24.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.905 0.86 . . . . 0.0 112.002 -171.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 40.0 mt -75.88 -1.49 25.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.092 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -65.35 -15.24 62.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.15 0.5 . . . . 0.0 111.081 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -90.92 41.03 1.04 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.417 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.42 159.38 23.82 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.966 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.3 134.72 37.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.854 0.359 . . . . 0.0 111.277 -170.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -82.95 122.35 37.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.529 174.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.14 142.37 50.23 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.827 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -84.08 120.02 25.65 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -131.23 115.12 15.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.852 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 62.28 28.72 17.12 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.531 0.681 . . . . 0.0 110.828 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.88 -0.24 79.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.632 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -109.1 156.04 20.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.766 0.317 . . . . 0.0 110.2 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 33' ' ' PRO . 79.4 mt -97.69 104.26 16.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.978 0.418 . . . . 0.0 110.06 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -107.36 149.94 27.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.232 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ARG . 7.9 p -109.03 127.81 65.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -110.5 109.32 19.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.817 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.57 ' HB3' HD13 ' A' ' 72' ' ' LEU . 14.2 m -86.51 115.38 61.99 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.77 3.56 2.71 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.125 2.55 . . . . 0.0 112.986 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' ' 70' ' ' SER . 7.3 mp -61.34 -57.73 11.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.862 176.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 25.0 mmtp -141.91 28.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 64.18 32.44 12.54 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.999 174.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -86.25 133.03 33.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.976 0.417 . . . . 0.0 110.241 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.645 ' HD2' ' SD ' ' A' ' 85' ' ' MET . 34.8 mtt85 -118.89 129.59 55.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.348 -174.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' A' ' 54' ' ' LEU . 31.6 m-85 -126.33 136.97 53.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.426 -176.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -83.59 113.91 21.16 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.5 mt -58.54 -29.31 66.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 t -60.52 -58.0 10.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.654 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -114.52 -12.95 12.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.01 15.11 58.24 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.073 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 88' ' ' GLU . 10.1 tp -67.97 131.66 45.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.706 0.288 . . . . 0.0 110.521 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.806 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 77.0 m -84.51 138.43 32.78 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.645 ' SD ' ' HD2' ' A' ' 76' ' ' ARG . 25.2 ttt -59.62 -56.41 22.31 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -176.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -92.53 -20.03 21.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.499 0.666 . . . . 0.0 110.867 -175.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 84' ' ' CYS . 38.6 m-20 -106.79 10.5 30.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.204 -171.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.411 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.8 pt-20 -34.39 -38.65 0.07 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.442 ' HG3' ' CD2' ' A' ' 90' ' ' PHE . 22.3 pt20 -60.58 -27.63 67.85 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 89' ' ' GLN . 92.3 m-85 -106.98 -61.76 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.217 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.806 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 65.6 m 63.59 -172.37 0.17 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.464 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.0 m -109.67 176.4 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.358 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -88.96 112.75 23.71 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.13 134.31 34.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.204 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.55 144.18 34.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 107' ' ' ARG . 23.1 tt0 -82.67 125.41 31.19 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -175.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.75 139.8 46.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.86 0.362 . . . . 0.0 111.311 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.415 ' NH2' ' HD2' ' A' ' 100' ' ' LYS . 12.0 ttp180 -144.57 137.15 26.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.148 178.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.529 HG21 HD12 ' A' ' 10' ' ' ILE . 95.7 t -97.97 104.76 16.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.452 0.644 . . . . 0.0 110.262 177.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' HD2' ' NH2' ' A' ' 98' ' ' ARG . 75.4 tttt -96.64 106.89 19.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.809 -177.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.7 t70 60.59 20.26 10.14 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.754 0.788 . . . . 0.0 110.427 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.01 2.73 51.89 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.648 -178.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.9 t -108.33 128.88 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.113 0.457 . . . . 0.0 110.095 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.18 116.89 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.492 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 15.3 mt-30 -113.93 146.38 40.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.49 HD11 HD11 ' A' ' 30' ' ' ILE . 82.2 mt -122.69 135.08 54.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.631 179.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.457 ' HB3' ' HB3' ' A' ' 96' ' ' GLU . 17.3 ttp85 -107.26 116.81 32.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.313 176.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.69 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.364 176.783 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.947 0.403 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -91.75 119.25 31.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.196 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -97.22 119.65 36.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.692 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.467 ' CG ' HE21 ' A' ' 105' ' ' GLN . 7.1 m-20 -69.21 103.32 1.9 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.755 174.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -74.48 -77.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.549 0.69 . . . . 0.0 110.681 -177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.9 m -151.84 177.38 10.48 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 9' ' ' LYS . 47.1 mtmt -80.09 147.18 31.53 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.272 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 99' ' ' VAL . 19.5 tt -67.12 -13.76 17.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.62 0.724 . . . . 0.0 109.928 178.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.04 -18.05 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.724 174.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -86.68 -7.68 58.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.434 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.4 mt -114.17 134.85 55.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.295 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 90.9 mt -97.78 169.11 8.96 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.583 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 38.7 Cg_exo -58.58 130.13 35.75 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.301 2.001 . . . . 0.0 112.363 175.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 57.17 53.01 8.23 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.743 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.9 p -135.92 174.98 10.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.709 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.542 ' O ' ' HB3' ' A' ' 55' ' ' SER . . . -141.12 137.19 7.99 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -118.64 177.83 2.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.661 0.267 . . . . 0.0 110.821 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.2 p -121.66 127.34 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.725 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.65 170.53 10.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.493 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 mt -112.11 121.33 44.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.866 0.365 . . . . 0.0 110.584 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 tt -124.18 111.68 16.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.05 -96.19 0.77 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.595 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -129.6 -5.82 4.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -114.72 164.77 13.59 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.922 -175.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -86.84 134.35 33.55 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.999 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.8 t -118.23 131.67 70.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.594 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.37 118.77 29.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.246 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.535 HD11 HD11 ' A' ' 106' ' ' LEU . 62.5 mt -104.38 108.87 25.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.615 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -101.87 132.32 47.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.987 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -111.0 99.96 44.89 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.551 ' HB2' HD13 ' A' ' 66' ' ' LEU . 87.2 Cg_endo -95.36 1.69 2.45 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.714 2.942 . . . . 0.0 113.243 -177.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.27 159.66 23.68 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.995 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.22 -12.66 59.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 173.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 p -92.24 -154.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.026 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.15 -24.24 30.28 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -57.5 122.95 13.88 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -172.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.17 162.41 33.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.333 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -134.32 152.93 52.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.224 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.36 129.02 36.87 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.226 0.536 . . . . 0.0 111.837 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 pt -132.21 171.03 18.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' A' ' 93' ' ' LYS . 5.9 t -62.08 132.99 54.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.544 HD21 HG12 ' A' ' 53' ' ' VAL . 66.9 t30 -83.31 -12.89 56.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.04 0.448 . . . . 0.0 110.869 -173.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 51' ' ' SER . 31.8 mm -103.31 113.0 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 -177.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.536 ' HB2' HD21 ' A' ' 54' ' ' LEU . 10.8 t70 -72.31 124.96 91.51 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 173.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.48 -32.36 4.92 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.422 2.081 . . . . 0.0 113.932 -174.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -91.53 -44.04 9.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.878 0.37 . . . . 0.0 111.551 -173.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -89.54 -21.57 22.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.691 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 41.0 tt0 61.81 90.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.745 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 32.7 t -131.89 135.33 46.58 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.063 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -71.16 -33.87 70.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.856 0.36 . . . . 0.0 110.555 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.544 HG12 HD21 ' A' ' 44' ' ' ASN . 11.3 m -128.79 124.41 61.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.797 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 46' ' ' ASP . 87.4 mt -92.51 -1.72 56.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.66 0.743 . . . . 0.0 109.196 168.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.542 ' HB3' ' O ' ' A' ' 18' ' ' GLY . 1.4 m -69.06 -3.64 13.95 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.852 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -90.74 40.79 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.448 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.57 162.57 24.65 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.888 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.702 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.0 pt? -102.97 155.21 18.52 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 33' ' ' PRO . 63.4 mt -109.68 122.52 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.919 0.39 . . . . 0.0 110.704 -175.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.77 154.35 20.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.689 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.22 137.73 51.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.529 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -130.52 79.66 1.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.097 173.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.703 ' N ' HE21 ' A' ' 63' ' ' GLN . 0.0 OUTLIER 65.51 28.51 11.45 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.286 172.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.59 -19.28 9.81 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.583 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.52 ' OE2' ' HD2' ' A' ' 78' ' ' ARG . 8.2 tp10 -92.65 138.61 31.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 33' ' ' PRO . 88.6 mt -114.9 123.89 50.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.2 0.524 . . . . 0.0 111.238 -173.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -120.81 129.57 53.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.282 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 8.6 p -96.49 125.25 49.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -111.69 113.79 26.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.605 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.7 m -93.73 110.84 49.85 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.257 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.07 -10.31 17.48 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.363 2.708 . . . . 0.0 112.946 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.8 mp -59.83 -34.23 72.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 21.6 tttm -147.27 10.23 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 12.8 ttpp 63.39 36.83 11.21 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.246 1.022 . . . . 0.0 108.463 -173.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -80.06 123.67 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.844 -174.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.653 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 74.4 mtt180 -114.75 114.38 25.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.544 -175.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 84' ' ' CYS . 88.9 m-85 -116.68 131.52 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.799 176.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.52 ' HD2' ' OE2' ' A' ' 65' ' ' GLU . 20.1 ttp85 -80.97 116.06 20.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.3 -17.66 64.33 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -171.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -60.61 -23.98 65.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.84 -69.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.163 0.506 . . . . 0.0 110.208 174.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.58 33.88 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.9 tp -85.45 110.94 19.52 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.535 -0.333 . . . . 0.0 110.537 -176.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.653 ' HA ' ' O ' ' A' ' 76' ' ' ARG . 49.0 t -84.98 134.22 34.24 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 82.6 mtp -62.91 -25.54 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.945 0.402 . . . . 0.0 111.189 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -93.1 -41.58 9.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.336 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 37.8 t70 -92.04 10.6 28.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.898 0.38 . . . . 0.0 111.13 -176.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -53.05 -6.82 0.06 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -61.36 -38.05 85.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 122.416 0.286 . . . . 0.0 110.379 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -140.33 -33.29 0.57 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.0 m 72.55 178.91 0.23 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.62 0.575 . . . . 0.0 111.479 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.6 m -101.41 -175.68 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.248 0.547 . . . . 0.0 112.3 -174.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 15.9 tptm -77.92 123.16 26.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.545 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -101.76 139.25 37.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.689 0.28 . . . . 0.0 110.714 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.61 152.63 40.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.817 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.558 ' HG3' ' NH2' ' A' ' 107' ' ' ARG . 30.9 mm-40 -84.06 131.95 34.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.42 135.18 47.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 -177.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -145.67 158.79 43.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 10' ' ' ILE . 40.6 t -110.81 102.67 14.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.21 0.529 . . . . 0.0 110.403 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.524 ' HD3' ' NE2' ' A' ' 105' ' ' GLN . 1.9 ttpm? -86.56 105.63 16.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.074 -178.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 48.94 29.28 2.29 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.196 0.935 . . . . 0.0 112.464 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.88 -11.78 34.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.748 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.3 t -100.15 124.4 53.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.36 123.41 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.524 ' NE2' ' HD3' ' A' ' 100' ' ' LYS . 78.7 mt-30 -117.22 138.74 51.5 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.722 0.296 . . . . 0.0 110.642 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.535 HD11 HD11 ' A' ' 30' ' ' ILE . 76.3 mt -118.85 142.63 47.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.322 177.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.558 ' NH2' ' HG3' ' A' ' 96' ' ' GLU . 17.6 ttp180 -123.65 111.24 15.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.945 174.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.622 178.795 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tmm? . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.747 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 10.2 m -142.98 121.86 12.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.635 -176.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -107.96 88.13 2.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.541 0.686 . . . . 0.0 110.484 178.284 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -74.33 92.4 2.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.982 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -83.03 128.07 34.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.708 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.32 127.02 31.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.571 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.402 HD12 ' HB1' ' A' ' 21' ' ' ALA . 47.2 mm -99.87 -67.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.061 0.458 . . . . 0.0 110.047 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.6 p -166.78 174.08 8.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.769 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 60.8 mttp -78.61 143.73 36.13 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.101 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 99' ' ' VAL . 17.3 tt -63.38 -13.4 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.515 -174.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.21 -29.14 69.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.37 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -71.84 -30.36 65.38 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.638 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.1 mt -90.42 107.89 18.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.094 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.29 158.79 44.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.106 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.23 134.02 43.2 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.122 2.548 . . . . 0.0 112.292 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.746 ' HA ' ' O ' ' A' ' 32' ' ' ARG . 1.8 pm0 36.99 68.99 0.23 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.248 0.968 . . . . 0.0 112.774 -172.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -140.15 157.9 44.89 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.609 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.5 140.81 12.51 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.233 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.51 157.73 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.542 0.21 . . . . 0.0 110.586 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -98.8 131.09 45.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 0.0 110.814 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' A' ' 7' ' ' ILE . . . -120.84 175.48 6.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.84 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.7 mt -125.01 117.51 24.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.817 0.341 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.1 tp -108.2 86.35 2.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 172.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.57 -103.19 1.39 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.118 -172.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -114.59 4.28 15.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.151 0.501 . . . . 0.0 110.174 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -90.6 117.64 29.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.665 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -79.94 103.97 10.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t -98.95 135.44 33.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.507 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -96.9 110.14 22.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.974 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.468 HD11 HD11 ' A' ' 106' ' ' LEU . 58.1 mt -92.0 108.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.741 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.465 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 88.3 m-85 -105.39 118.59 36.96 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.61 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.746 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 75.8 ttt180 -97.61 100.04 7.58 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 168.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HB2' HD13 ' A' ' 66' ' ' LEU . 68.0 Cg_endo -90.47 7.05 3.84 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.83 2.354 . . . . 0.0 113.439 -171.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.479 ' CZ ' HD11 ' A' ' 66' ' ' LEU . 66.6 m-85 -140.64 -168.81 2.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.262 0.553 . . . . 0.0 110.675 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -100.89 -15.98 17.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.57 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m -83.38 -164.82 0.95 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.026 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -84.5 9.71 12.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.588 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.561 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 73.1 mt-30 -82.32 111.99 18.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.613 -177.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 m -132.39 150.32 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.185 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -132.22 153.31 50.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.204 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.13 125.92 30.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 111.474 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.1 pt -131.48 -177.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.721 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 93' ' ' LYS . 22.0 t -65.97 132.5 48.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.519 HD21 HG12 ' A' ' 53' ' ' VAL . 13.7 t30 -81.88 -11.69 58.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 0.0 110.561 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.1 mt -123.77 134.29 66.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.598 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -93.55 148.44 35.48 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.49 -10.05 3.29 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.451 2.1 . . . . 0.0 114.346 -173.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -91.42 -56.21 3.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.005 0.431 . . . . 0.0 111.1 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 40.6 t80 -101.18 -27.6 13.13 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.374 -174.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 70.89 81.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.763 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.1 m -101.96 113.89 27.52 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 167.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -57.76 -36.45 72.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.931 -171.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.519 HG12 HD21 ' A' ' 44' ' ' ASN . 6.9 m -129.11 124.1 59.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.86 173.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 43' ' ' SER . 79.2 mt -91.93 -10.87 37.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.373 0.606 . . . . 0.0 109.514 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 m -74.86 1.8 11.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.662 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -103.97 40.56 1.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.472 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.89 164.65 24.72 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.0 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.92 140.45 37.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.898 0.38 . . . . 0.0 110.625 -175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -86.63 126.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.159 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.48 146.52 38.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.507 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -85.2 152.83 23.05 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.45 0.643 . . . . 0.0 112.082 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -163.98 129.72 3.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.2 165.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 72.97 7.02 5.41 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.88 0.737 . . . . 0.0 111.165 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.52 9.93 64.17 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.236 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -114.42 159.31 20.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.567 HD13 ' HB2' ' A' ' 33' ' ' PRO . 39.3 mt -99.39 119.13 37.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.893 0.378 . . . . 0.0 110.54 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -117.59 134.18 55.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.817 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.7 p -96.43 119.98 45.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.59 122.54 43.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.748 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.459 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 15.9 m -86.17 115.41 61.84 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.083 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.472 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 21.0 Cg_exo -65.9 -6.95 15.38 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.488 2.792 . . . . 0.0 112.905 -175.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' H ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -61.98 -38.68 89.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.859 175.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.6 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -144.96 -113.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.93 176.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -140.71 25.14 2.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.718 0.294 . . . . 0.0 110.82 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -68.96 126.38 29.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.642 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -124.54 118.29 26.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.103 0.478 . . . . 0.0 110.55 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 84' ' ' CYS . 63.1 m-85 -107.36 120.69 42.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.542 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HD3' ' HB3' ' A' ' 83' ' ' LEU . 70.1 ttt180 -71.75 117.69 13.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.182 176.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.96 -17.06 59.88 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -171.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.85 -39.21 68.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.943 0.401 . . . . 0.0 111.485 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -144.15 -57.88 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.52 37.96 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 119.963 -1.113 . . . . 0.0 112.61 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.43 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 22.7 tp -88.91 99.42 12.39 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.881 0.372 . . . . 0.0 110.467 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.536 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 38.4 t -77.86 124.84 28.49 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 170.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -64.65 -15.69 61.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.196 0.522 . . . . 0.0 111.23 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -92.56 -29.62 16.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.519 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 21.4 t70 -107.04 10.42 30.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.047 -172.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.447 ' OE2' ' HG2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -49.97 -15.23 0.18 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -172.283 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG2' ' OE2' ' A' ' 88' ' ' GLU . 84.4 mm-40 -67.84 -38.99 83.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -110.12 -47.65 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.458 -174.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 m 76.83 144.36 0.08 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.774 0.83 . . . . 0.0 110.534 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.4 m -90.9 169.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.462 0.649 . . . . 0.0 112.429 -170.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 20.0 tptm -63.46 129.33 39.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.829 -178.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -118.44 133.99 55.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -118.5 154.28 32.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -91.23 134.33 34.65 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.761 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.59 130.11 49.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.891 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -131.6 151.73 51.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.207 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.423 HG21 HD12 ' A' ' 10' ' ' ILE . 61.3 t -99.6 97.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.035 175.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -101.74 113.89 27.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.363 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 61.18 24.82 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.218 0.532 . . . . 0.0 110.231 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.86 9.13 78.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.501 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 40.0 t -112.49 130.6 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.93 0.365 . . . . 0.0 110.245 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.9 t -76.99 121.12 28.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.23 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -118.98 142.99 47.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.508 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 30' ' ' ILE . 82.9 mt -114.59 138.94 50.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.573 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.747 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 19.6 ttp85 -120.54 132.35 55.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -139.44 -147.15 5.03 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 52.3 50.99 44.56 Favored Glycine 0 C--O 1.228 -0.239 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.373 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.213 -176.761 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.72 0.295 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.616 ' O ' ' HG3' ' A' ' 107' ' ' ARG . 12.5 p -120.11 -65.52 1.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.789 0.328 . . . . 0.0 110.119 176.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 60.31 38.01 19.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.508 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 96.5 m95 -56.08 115.52 2.47 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.794 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -112.25 122.56 48.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.595 178.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.52 ' HB2' HG11 ' A' ' 103' ' ' VAL . 5.6 p-10 -72.65 127.47 32.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.467 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.1 mm -102.16 -73.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.338 0.589 . . . . 0.0 110.771 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 80.9 m -143.35 177.7 8.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.021 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 35.6 mtmm -84.28 155.07 22.6 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.944 0.402 . . . . 0.0 110.743 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.412 HD11 ' HD2' ' A' ' 32' ' ' ARG . 9.9 tp -68.8 -20.17 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.594 0.712 . . . . 0.0 110.008 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.27 -14.62 63.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.72 -33.06 20.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.156 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -94.71 115.11 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.474 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.9 164.65 51.94 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.321 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.57 135.63 71.47 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.533 2.156 . . . . 0.0 112.54 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 62.17 37.4 14.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.045 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -124.1 142.95 50.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.612 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.77 137.13 12.58 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.88 161.3 20.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.845 0.355 . . . . 0.0 110.983 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.2 m -101.13 119.97 39.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.534 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.55 172.2 9.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.541 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.0 mt -125.82 135.12 51.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.644 0.259 . . . . 0.0 110.573 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.0 tp -131.12 113.88 14.44 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.75 -100.68 0.57 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.28 -174.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.68 -4.69 7.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.294 0.109 . . . . 0.0 111.294 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -102.83 149.45 24.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.986 0.422 . . . . 0.0 110.807 -173.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' HB2' HG12 ' A' ' 45' ' ' ILE . 24.2 mp0 -85.19 125.2 32.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.748 177.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.7 t -115.04 131.31 67.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.825 0.345 . . . . 0.0 110.412 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' N ' ' HB2' ' A' ' 44' ' ' ASN . . . -97.68 118.88 35.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.844 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.4 mt -103.79 112.44 37.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.428 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 97.9 m-85 -106.86 129.09 54.75 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.514 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HD2' HD11 ' A' ' 10' ' ' ILE . 76.2 ttt180 -107.96 100.08 34.12 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 172.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HB2' HD13 ' A' ' 66' ' ' LEU . 7.0 Cg_endo -86.63 -31.04 0.3 Allowed 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.291 2.661 . . . . 0.0 112.711 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -90.63 163.38 14.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 0.0 110.685 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -88.58 -5.22 58.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.241 176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.8 p -91.3 -158.12 0.54 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.227 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.442 ' HB2' ' HB ' ' A' ' 99' ' ' VAL . 8.6 p-10 -91.42 6.18 46.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.934 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -78.67 110.89 14.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.185 0.517 . . . . 0.0 111.209 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.4 158.23 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.373 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -132.81 146.93 52.24 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -131.71 136.78 47.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 0.0 111.361 -177.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.6 pt -136.44 177.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.085 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 93' ' ' LYS . 14.3 p -65.18 124.07 21.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.426 ' HB2' ' N ' ' A' ' 29' ' ' ALA . 65.3 t30 -85.67 3.38 41.25 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -174.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' A' ' 27' ' ' GLN . 40.4 mm -127.45 117.67 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -81.34 120.65 78.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 121.178 0.513 . . . . 0.0 110.045 174.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 14.4 Cg_endo -91.96 -6.59 3.41 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.331 2.687 . . . . 0.0 113.479 -177.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -91.48 -54.21 4.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.962 0.411 . . . . 0.0 110.595 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' ' HD2' ' A' ' 73' ' ' LYS . 90.9 t80 -92.07 -16.54 26.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 52.5 mt-10 65.97 50.72 1.44 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.568 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.417 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 32.1 t -102.4 129.34 48.85 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 169.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.2 m -76.44 -107.72 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.06 124.46 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.496 0.665 . . . . 0.0 112.465 -170.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.0 mt -89.65 -3.36 58.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.061 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -62.35 -21.6 65.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.924 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -88.18 40.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.395 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.495 ' HA2' ' HD2' ' A' ' 71' ' ' PRO . . . -134.37 162.83 24.63 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.879 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.52 141.27 32.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.911 0.386 . . . . 0.0 110.927 -174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 33' ' ' PRO . 59.4 mt -99.11 125.13 52.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.205 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.0 163.72 28.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 0.0 111.113 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.02 119.18 38.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -90.39 -70.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.647 0.26 . . . . 0.0 110.625 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.56 83.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.068 0.461 . . . . 0.0 110.221 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.77 12.93 80.82 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.755 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -148.68 149.12 30.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.242 0.544 . . . . 0.0 111.0 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.583 HD13 ' HB2' ' A' ' 33' ' ' PRO . 20.4 mt -97.33 122.69 40.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.758 -175.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 45.2 m95 -120.71 136.18 54.93 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.803 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 77' ' ' PHE . 7.0 p -102.08 113.96 40.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.452 0.644 . . . . 0.0 109.916 176.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.04 114.27 26.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.187 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.0 m -86.8 115.01 60.93 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.229 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.495 ' HD2' ' HA2' ' A' ' 57' ' ' GLY . 43.6 Cg_endo -67.86 0.01 4.86 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.049 2.499 . . . . 0.0 112.033 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' HE3' ' A' ' 73' ' ' LYS . 70.2 mt -58.97 -37.6 77.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.907 174.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.709 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -151.41 -103.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.869 174.746 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' H ' ' HB3' ' A' ' 73' ' ' LYS . 54.2 mtmt -145.16 27.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.419 0.628 . . . . 0.0 109.855 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.488 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 7.3 mp0 -83.1 112.57 19.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.484 -177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.627 ' HD3' ' HB3' ' A' ' 85' ' ' MET . 0.0 OUTLIER -106.78 112.26 25.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 75' ' ' GLN . 93.5 m-85 -100.8 134.73 43.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.369 0.604 . . . . 0.0 111.306 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.889 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 67.6 ttt180 -82.98 111.61 18.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.39 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -27.68 61.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.947 0.403 . . . . 0.0 111.195 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p -79.98 -9.2 59.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.233 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.889 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 8.4 t70 -149.94 -62.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -175.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.416 ' H ' ' HB3' ' A' ' 78' ' ' ARG . . . 138.41 -17.95 3.29 Favored Glycine 0 C--N 1.323 -0.182 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.348 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.458 HD12 ' OG ' ' A' ' 91' ' ' SER . 14.3 tp -52.92 125.41 16.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.436 -0.382 . . . . 0.0 111.289 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.23 134.18 34.15 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.627 ' HB3' ' HD3' ' A' ' 76' ' ' ARG . 15.2 ttt -64.58 -32.62 74.35 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.3 -175.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.42 -48.83 6.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.534 0.683 . . . . 0.0 110.494 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -88.42 10.74 19.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.741 -173.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.74 -32.36 0.06 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -60.92 -28.33 68.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.138 0.494 . . . . 0.0 110.575 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -105.71 -65.41 1.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.444 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.458 ' OG ' HD12 ' A' ' 83' ' ' LEU . 62.6 m 69.47 149.47 0.08 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.028 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.471 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 17.3 m -92.96 -169.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.957 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 85.0 tttt -95.29 139.7 31.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.68 -173.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -120.69 135.32 55.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.961 0.41 . . . . 0.0 110.824 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -112.91 160.88 17.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.814 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.88 124.68 45.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 174.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.74 147.08 45.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.984 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.553 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 9.2 ptm85 -148.5 162.79 38.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.344 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 37' ' ' ASP . 98.2 t -104.79 113.74 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.962 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -124.07 125.01 43.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.989 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 63.85 17.99 10.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.392 0.615 . . . . 0.0 109.6 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.8 16.53 67.76 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.727 -174.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 6' ' ' ASP . 65.6 t -121.97 134.89 63.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.767 0.317 . . . . 0.0 110.634 -175.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.33 122.51 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.426 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 79.0 mt-30 -117.59 144.04 45.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.094 177.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.5 mt -113.47 136.36 52.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' ' 2' ' ' SER . 37.1 ttp180 -120.33 119.97 34.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.905 173.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -161.83 -142.76 3.48 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.133 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.92 -171.53 33.13 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.847 -0.597 . . . . 0.0 110.76 179.813 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.577 0.227 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.55 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 4.7 p -136.84 107.18 6.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.141 0.496 . . . . 0.0 111.644 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 3' ' ' GLN . 17.9 mt-30 -105.65 91.35 3.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.714 174.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' NE1' ' HD3' ' A' ' 107' ' ' ARG . 85.1 m95 -87.1 99.2 11.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.33 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -79.78 129.65 34.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.204 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.502 ' HB2' HG11 ' A' ' 103' ' ' VAL . 7.8 p-10 -80.64 126.73 31.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.189 0.519 . . . . 0.0 109.705 174.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -93.01 -69.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.163 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -154.53 167.23 30.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.394 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -67.15 150.99 48.38 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 tp -58.98 -21.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 111.074 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.16 -19.7 63.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.461 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.94 -27.56 60.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.632 HD12 HG21 ' A' ' 104' ' ' VAL . 20.4 mt -111.65 100.41 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.011 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.17 162.47 69.13 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.241 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.53 147.64 90.71 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.248 1.965 . . . . 0.0 111.761 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 63.44 25.76 14.64 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 123.594 0.559 . . . . 0.0 110.699 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.4 m -122.96 145.62 48.32 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.915 0.388 . . . . 0.0 111.751 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.38 131.09 7.98 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.156 -0.545 . . . . 0.0 111.884 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 m -118.94 175.83 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.836 0.351 . . . . 0.0 110.79 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.1 p -121.11 140.41 52.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.13 -177.31 5.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.498 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.4 tt -130.56 127.9 40.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 106' ' ' LEU . 57.5 tp -127.39 111.85 14.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.113 0.483 . . . . 0.0 110.322 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.94 -93.59 1.29 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.102 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -126.1 -25.95 3.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.739 0.304 . . . . 0.0 110.933 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.18 167.26 9.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.197 0.522 . . . . 0.0 111.385 -170.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -92.57 131.46 37.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.542 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.402 HG21 ' HB3' ' A' ' 23' ' ' LEU . 52.4 t -115.83 138.07 47.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.501 -176.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -102.25 120.18 40.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.773 177.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 106' ' ' LEU . 52.2 mt -106.14 114.88 46.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.16 -177.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.16 130.13 55.73 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.768 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -112.85 99.6 48.65 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.43 -40.68 0.32 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.029 2.486 . . . . 0.0 112.372 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CE1' HD11 ' A' ' 66' ' ' LEU . 93.3 m-85 -90.14 161.5 15.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.182 0.515 . . . . 0.0 111.553 -172.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -78.06 -11.25 59.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.348 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.4 m -86.44 -166.63 1.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.772 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -92.24 30.29 1.49 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -97.03 110.77 23.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.788 0.327 . . . . 0.0 110.602 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 m -122.11 150.55 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.491 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.58 139.1 52.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.053 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.18 127.31 46.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.966 0.413 . . . . 0.0 111.489 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.28 -176.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.957 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.511 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 15.2 m -68.84 139.77 55.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.516 HD21 HG12 ' A' ' 53' ' ' VAL . 66.6 t30 -87.37 -1.53 57.98 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -172.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.0 mt -113.82 128.11 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.034 0.445 . . . . 0.0 111.873 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.716 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.6 OUTLIER -88.42 128.26 53.75 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.511 174.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -86.63 -7.96 7.33 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.873 2.382 . . . . 0.0 113.838 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 87' ' ' ASP . 75.8 m-85 -80.12 -60.8 2.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 0.0 111.466 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 73' ' ' LYS . 99.1 m-85 -112.59 10.65 19.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.965 0.412 . . . . 0.0 110.417 -175.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 61.37 73.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.066 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.716 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 15.3 m -102.42 116.39 32.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.525 -0.761 . . . . 0.0 108.994 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 p -71.45 -31.34 67.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.312 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.516 HG12 HD21 ' A' ' 44' ' ' ASN . 14.8 m -128.43 124.61 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.114 0.483 . . . . 0.0 111.082 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 46' ' ' ASP . 74.6 mt -90.77 -8.22 50.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.52 . . . . 0.0 109.683 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -64.56 -15.72 61.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.145 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -91.61 39.37 1.0 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.479 0.656 . . . . 0.0 110.008 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.468 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.81 158.74 23.64 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.832 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.755 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.5 pt? -98.63 145.94 26.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.7 mt -92.96 109.67 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.322 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -119.08 122.21 41.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.554 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -73.88 130.28 39.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.021 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.658 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 36.9 m80 -135.07 117.07 15.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.601 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 62.93 21.8 13.08 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.842 0.714 . . . . 0.0 111.763 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.8 -16.43 56.08 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.705 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -100.34 149.43 23.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.682 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.401 HD11 ' CE1' ' A' ' 34' ' ' TYR . 79.7 mt -90.16 108.53 19.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.441 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.658 ' CD1' ' HB2' ' A' ' 62' ' ' HIS . 76.0 m95 -109.93 130.73 55.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.084 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.1 p -96.6 124.6 49.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 174.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -103.06 123.01 45.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.618 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.454 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 14.6 m -85.49 111.63 38.37 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.437 178.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 11.9 Cg_exo -71.89 -0.45 8.46 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.491 2.794 . . . . 0.0 112.75 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' H ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -62.43 -32.52 73.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 39.8 tptt -150.81 -75.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 172.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 73' ' ' LYS . 3.6 tppp? 169.98 71.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.167 0 O-C-N 124.117 0.886 . . . . 0.0 109.855 171.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -100.57 144.32 29.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -121.53 115.4 22.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.17 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.413 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 87.7 m-85 -115.97 136.45 53.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.808 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 53.4 ttt180 -93.09 101.74 14.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.281 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.92 -37.57 87.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.835 -173.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 m -56.16 -35.14 66.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.649 -172.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -126.96 -23.93 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.894 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.76 ' HA3' ' HB2' ' A' ' 94' ' ' HIS . . . 105.14 -0.13 41.09 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.091 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.458 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 21.5 tp -70.34 150.35 46.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 52.8 t -105.87 146.0 30.5 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 170.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.423 ' HB3' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -66.95 -56.62 9.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.88 0.372 . . . . 0.0 110.741 -176.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.423 ' OE1' ' HB3' ' A' ' 85' ' ' MET . 2.1 mp0 -79.73 -31.01 41.05 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 3.8 t70 -95.02 10.78 34.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.616 0.246 . . . . 0.0 110.996 -175.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -40.38 -27.73 0.05 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -53.43 -45.94 69.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.207 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -124.35 -56.26 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.583 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.1 m 68.24 -173.35 0.19 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.996 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 43' ' ' SER . 26.9 m -95.02 174.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.074 -176.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -89.6 118.95 29.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.76 ' HB2' ' HA3' ' A' ' 82' ' ' GLY . 53.9 t-80 -90.91 126.08 35.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.661 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CD2' HD23 ' A' ' 23' ' ' LEU . 84.4 m-85 -96.48 166.42 11.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.66 0.267 . . . . 0.0 110.415 -178.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 37.2 mt-10 -90.9 115.82 28.24 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.57 150.61 47.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.817 0.341 . . . . 0.0 111.741 -174.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -165.82 170.91 13.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.422 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.6 t -104.69 110.88 32.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.991 0.424 . . . . 0.0 110.192 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.571 ' CB ' ' HG3' ' A' ' 105' ' ' GLN . 21.6 ttpp -106.45 116.23 31.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.078 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.457 ' OD2' ' HG2' ' A' ' 100' ' ' LYS . 15.7 m-20 63.95 17.65 10.7 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.424 0.452 . . . . 0.0 110.837 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.73 12.35 60.86 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.068 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.502 HG11 ' HB2' ' A' ' 6' ' ' ASP . 59.3 t -116.58 137.6 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.632 HG21 HD12 ' A' ' 13' ' ' ILE . 47.1 t -74.25 120.91 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.788 0.328 . . . . 0.0 110.351 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HG3' ' CB ' ' A' ' 100' ' ' LYS . 4.7 mm100 -117.29 136.61 52.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.519 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 30' ' ' ILE . 77.4 mt -122.45 128.59 51.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.271 0.357 . . . . 0.0 110.596 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.55 ' HD2' ' HA ' ' A' ' 2' ' ' SER . 18.5 ttp180 -110.14 120.03 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.428 0.632 . . . . 0.0 110.445 173.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.58 -139.81 3.51 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.72 174.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.3 87.3 1.95 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.21 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.5 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.958 177.842 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.648 0.261 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -90.92 11.5 22.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.841 0.353 . . . . 0.0 111.579 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -64.39 114.09 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 88.6 m95 -52.29 109.03 0.34 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.204 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -78.33 112.0 14.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.101 -175.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.95 111.88 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 170.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.1 mm -88.75 -76.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.237 0.541 . . . . 0.0 110.392 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.9 m -150.47 173.24 14.29 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 94.6 mttt -79.54 142.82 35.4 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.838 0.352 . . . . 0.0 110.302 178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 ' HD2' ' A' ' 32' ' ' ARG . 10.1 tp -71.76 -6.7 7.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.683 0.754 . . . . 0.0 109.936 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.84 -26.42 65.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.216 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.51 -44.88 16.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.359 0.6 . . . . 0.0 110.608 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.406 ' HB ' HD12 ' A' ' 10' ' ' ILE . 44.5 mt -77.25 106.0 6.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.501 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.64 165.22 47.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.69 145.25 98.63 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.282 1.988 . . . . 0.0 111.818 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.43 26.85 15.05 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.109 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -118.77 138.18 52.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.952 0.405 . . . . 0.0 111.421 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -118.82 136.69 12.26 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -121.74 166.61 16.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.647 0.261 . . . . 0.0 110.972 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.9 m -112.33 108.4 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.021 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.53 -179.38 3.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 23' ' ' LEU . 2.4 tt -123.05 126.82 47.83 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 22' ' ' LEU . 7.6 tt -124.22 100.86 6.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.27 -87.31 0.4 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.96 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -126.55 -23.78 3.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.96 0.41 . . . . 0.0 110.756 177.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -90.61 158.94 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -103.26 124.31 48.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.505 0.669 . . . . 0.0 110.356 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.5 t -109.71 135.81 47.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.694 -174.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -92.82 115.88 28.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.607 176.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.423 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 61.8 mt -102.73 119.8 51.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.793 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.437 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 99.4 m-85 -112.33 123.08 49.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HD2' HD11 ' A' ' 10' ' ' ILE . 72.1 ttt180 -100.64 100.22 11.93 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 169.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.49 ' HB2' HD13 ' A' ' 66' ' ' LEU . 72.7 Cg_endo -87.16 -31.19 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.831 2.354 . . . . 0.0 113.299 -175.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.89 175.04 5.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.801 0.334 . . . . 0.0 110.386 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -86.72 -19.35 29.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 t -82.16 -165.3 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.101 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.545 ' HB2' HG21 ' A' ' 99' ' ' VAL . 5.9 p-10 -92.16 17.32 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.08 0.467 . . . . 0.0 111.335 -176.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.429 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 6.9 tp60 -80.91 107.62 13.88 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.6 m -127.01 163.55 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 111.418 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -136.06 153.04 51.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.706 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.43 130.46 23.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.955 0.407 . . . . 0.0 111.304 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 94' ' ' HIS . 6.4 pt -140.59 176.55 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.417 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.596 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 15.0 p -60.56 125.33 23.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.476 0.179 . . . . 0.0 111.085 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 54.1 t30 -68.91 -42.13 77.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.042 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 51' ' ' SER . 60.5 mt -88.72 113.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.91 0.386 . . . . 0.0 110.605 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.709 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER -69.88 120.06 75.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.362 173.042 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 84.1 Cg_endo -86.84 -7.39 7.33 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.996 2.464 . . . . 0.0 113.629 -173.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -91.47 -56.07 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.839 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -95.82 -9.06 32.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.079 0.466 . . . . 0.0 110.041 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 68.11 73.73 0.29 Allowed 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.948 -175.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.709 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 17.4 m -107.41 114.01 27.74 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -69.95 -29.54 66.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 t -125.14 123.83 66.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.853 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 44' ' ' ASN . 15.9 tp -92.34 -23.51 19.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -68.46 -9.17 47.0 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.028 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 17.2 ttm180 -90.03 40.9 1.02 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.418 0.628 . . . . 0.0 110.043 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.79 164.64 24.69 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.914 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 pp -107.95 151.53 25.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.856 0.36 . . . . 0.0 110.949 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.1 mt -94.77 115.01 32.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.17 143.46 45.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 168.24 18.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.071 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.591 ' HD2' ' HG2' ' A' ' 63' ' ' GLN . 56.8 t60 -139.71 -56.56 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.632 0.253 . . . . 0.0 110.376 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.591 ' HG2' ' HD2' ' A' ' 62' ' ' HIS . 4.1 pt20 -168.18 31.78 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.358 0.599 . . . . 0.0 110.005 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.23 30.74 2.4 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -138.72 151.41 47.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -174.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 33' ' ' PRO . 71.5 mt -111.59 101.95 10.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.258 0.551 . . . . 0.0 110.296 176.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.555 ' HB2' HH21 ' A' ' 76' ' ' ARG . 76.7 m95 -102.66 137.08 41.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.867 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.62 119.5 44.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.95 121.84 43.37 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.787 -176.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.452 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 45.5 t -82.52 109.86 18.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.757 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 14.4 Cg_exo -69.59 -8.01 22.48 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.209 2.606 . . . . 0.0 112.005 -177.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.91 -27.41 68.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.745 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -138.07 -92.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.371 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -176.11 22.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.016 0.526 . . . . 0.0 109.806 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -82.28 128.01 33.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.243 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.555 HH21 ' HB2' ' A' ' 67' ' ' TRP . 25.6 mtp180 -112.87 123.84 51.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.931 0.396 . . . . 0.0 110.264 177.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -111.41 143.46 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.434 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -89.2 114.37 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.5 mt -54.53 -32.04 57.43 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -171.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.9 p -65.52 -41.11 93.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -173.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -109.41 -16.82 13.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.741 0.305 . . . . 0.0 111.414 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 91' ' ' SER . . . 73.5 26.68 69.31 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -169.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 88' ' ' GLU . 5.0 tp -90.09 136.33 33.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.799 -0.701 . . . . 0.0 110.523 -174.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 87' ' ' ASP . 24.0 t -86.31 147.76 25.92 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ttt -57.02 -67.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -92.42 -18.47 23.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.476 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 13.1 m-20 -95.77 10.8 35.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.269 -174.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.481 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.0 pt-20 -33.89 -41.65 0.1 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -170.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -66.56 -31.91 72.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.904 0.775 . . . . 0.0 111.224 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -107.3 42.09 1.38 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.492 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' A' ' 82' ' ' GLY . 73.1 m -71.65 178.02 3.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.068 0.461 . . . . 0.0 111.919 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.596 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 35.4 m -91.02 -175.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.432 -174.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 45.0 tttp -88.59 124.58 34.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.259 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.543 ' HA ' HG22 ' A' ' 42' ' ' ILE . 21.9 t-80 -107.53 128.84 54.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 111.108 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.456 ' OH ' ' HD3' ' A' ' 93' ' ' LYS . 83.0 m-85 -107.26 167.26 10.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.077 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -95.38 132.11 40.78 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.88 147.38 47.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.892 0.377 . . . . 0.0 111.619 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -155.43 157.57 37.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.862 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 37' ' ' ASP . 85.4 t -105.73 112.55 39.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.338 0.59 . . . . 0.0 110.639 177.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -91.06 90.44 7.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.444 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 57.0 23.18 8.05 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.693 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.4 ' H ' HG12 ' A' ' 99' ' ' VAL . . . 112.29 -7.73 26.78 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.762 -177.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 48.1 t -103.87 129.06 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.802 0.301 . . . . 0.0 110.509 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.5 122.22 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 122.361 -0.212 . . . . 0.0 110.689 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 61.0 mt-30 -117.78 143.63 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.617 0.246 . . . . 0.0 110.377 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.2 mt -128.15 139.96 52.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -113.72 113.61 25.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 171.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -124.18 166.03 16.89 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.257 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -82.65 68.26 3.57 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.217 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.7 m . . . . . 0 C--O 1.246 0.89 0 CA-C-O 119.008 -0.52 . . . . 0.0 110.128 177.73 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.611 0.243 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.989 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 4.2 m -90.65 109.8 20.96 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -93.97 100.31 12.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.014 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.429 ' CD2' ' HB2' ' A' ' 107' ' ' ARG . 81.0 m95 -89.7 95.59 10.32 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -89.52 122.43 32.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.792 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.64 112.33 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -81.82 -69.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.418 0.628 . . . . 0.0 110.1 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -162.18 177.03 10.03 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 57.6 mttm -81.86 158.93 23.85 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.485 -177.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.98 -11.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.451 0.643 . . . . 0.0 110.834 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -77.73 -21.83 51.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.343 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.69 -49.66 10.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.049 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.0 mt -86.96 101.49 11.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.6 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 86.5 mt -76.67 167.7 34.44 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.904 -177.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 17.0 Cg_endo -57.23 143.37 93.69 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.719 2.28 . . . . 0.0 111.892 174.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 61.77 35.09 16.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.786 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 m -126.47 136.58 52.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.45 139.42 14.12 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.15 148.74 33.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.897 0.379 . . . . 0.0 110.95 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 p -97.62 113.39 25.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.155 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.37 179.93 3.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.264 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.55 125.16 33.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.696 0.284 . . . . 0.0 110.816 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 tp -117.15 115.31 25.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.81 -102.56 0.99 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -171.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -129.54 -0.14 4.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.844 0.354 . . . . 0.0 110.424 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.15 148.26 22.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.256 0.55 . . . . 0.0 110.88 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -87.11 118.98 26.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.338 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -112.14 133.77 56.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.24 118.51 36.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.127 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 106' ' ' LEU . 56.3 mt -101.79 122.57 54.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.924 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.11 125.0 49.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.877 0.37 . . . . 0.0 110.995 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -108.71 100.23 37.93 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.521 ' HB3' HG21 ' A' ' 59' ' ' ILE . 74.2 Cg_endo -80.19 -43.23 0.13 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.953 2.435 . . . . 0.0 113.16 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 66' ' ' LEU . 69.2 m-85 -90.01 171.19 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.233 0.539 . . . . 0.0 110.922 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 8.4 t-80 -86.91 -3.54 59.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.53 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.67 ' HB2' ' OE1' ' A' ' 38' ' ' GLN . 1.5 m -97.72 -150.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.922 -176.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -90.55 6.38 43.85 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.67 ' OE1' ' HB2' ' A' ' 36' ' ' SER . 27.1 mp0 -79.87 109.67 14.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 111.378 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 m -126.57 143.7 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.911 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -126.96 148.67 50.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.399 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.65 129.04 38.32 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.034 0.445 . . . . 0.0 111.368 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.5 pt -135.7 169.54 20.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.266 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.3 m -60.41 129.38 41.37 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 64.1 t30 -74.53 -15.17 60.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.485 -175.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 51' ' ' SER . 50.7 mt -121.64 128.33 75.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.787 178.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -83.81 148.52 54.54 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.735 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -84.04 -24.91 2.47 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.94 2.426 . . . . 0.0 114.313 -172.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -91.61 -45.21 8.6 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -170.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 51.8 t80 -107.2 -8.03 16.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.923 0.392 . . . . 0.0 110.153 -176.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 10.1 pt-20 48.87 80.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.653 1.181 . . . . 0.0 113.322 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 3.4 m -102.05 114.16 28.04 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 169.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' HG12 ' A' ' 45' ' ' ILE . 13.4 m -59.48 -39.36 83.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -171.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.411 HG12 HD21 ' A' ' 44' ' ' ASN . 13.6 m -128.51 124.17 61.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.182 0.515 . . . . 0.0 111.613 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 79.8 mt -92.44 -15.03 27.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.304 170.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 m -68.42 -13.69 62.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.43 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -92.14 40.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.545 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.85 164.6 24.71 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.904 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.84 143.3 26.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.808 0.337 . . . . 0.0 110.795 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 33' ' ' PRO . 62.4 mt -102.81 129.6 54.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.826 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.28 143.07 30.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.053 0.454 . . . . 0.0 111.574 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.97 105.25 17.68 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -78.98 -55.53 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.231 -173.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -168.75 85.13 0.16 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.196 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.24 -6.89 58.79 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.69 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -139.76 144.6 37.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 110.705 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 34' ' ' TYR . 69.6 mt -88.12 120.29 29.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.681 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -117.26 136.09 53.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.789 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.6 p -109.53 139.37 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.94 116.51 17.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.865 0.364 . . . . 0.0 111.717 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.482 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 14.7 m -77.95 119.91 79.22 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.506 174.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.545 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 24.3 Cg_exo -64.34 -8.76 17.67 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.605 2.87 . . . . 0.0 114.006 -172.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.609 HD22 ' H ' ' A' ' 72' ' ' LEU . 3.0 mm? -52.53 -70.78 0.08 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.121 0.486 . . . . 0.0 110.538 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 70.5 mmtt -118.97 9.43 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.023 175.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 74' ' ' LYS . 4.4 ttmp? 59.57 66.58 0.99 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.552 -176.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -89.24 121.63 31.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.909 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 1.4 mpt_? -95.86 122.29 38.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.209 -174.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.36 120.71 37.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.697 0.284 . . . . 0.0 110.693 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.588 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 57.0 ttp180 -75.77 107.49 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.48 -31.32 65.87 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.85 -174.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -45.32 -50.3 12.13 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.046 0.841 . . . . 0.0 111.922 -176.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.501 ' HA ' ' CD2' ' A' ' 94' ' ' HIS . 31.5 t70 -144.29 20.35 1.73 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.276 0.56 . . . . 0.0 111.419 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.99 41.75 80.59 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.636 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.588 ' HB3' ' HB3' ' A' ' 78' ' ' ARG . 9.0 tp -94.16 104.78 16.79 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.469 -178.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.8 t -70.46 133.3 46.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 172.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 ttt -65.07 -34.97 79.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.939 0.4 . . . . 0.0 110.904 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -88.86 -49.77 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.586 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -83.77 10.49 9.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.324 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.551 ' HG3' HD11 ' A' ' 83' ' ' LEU . 41.8 tt0 -36.18 -35.16 0.07 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.399 1.48 . . . . 0.0 113.702 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.799 HE21 ' HA ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -45.94 -42.77 13.3 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 123.473 0.483 . . . . 0.0 111.86 -178.044 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -128.95 -23.52 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.111 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.8 m 67.82 -168.7 0.19 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.337 0.398 . . . . 0.0 111.38 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 m -114.57 -168.87 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.333 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -80.49 130.92 35.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 81' ' ' ASP . 41.9 t-80 -103.69 114.77 29.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.769 174.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -97.02 145.98 25.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.967 0.413 . . . . 0.0 110.507 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -86.92 114.88 23.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.561 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -112.86 146.4 38.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -150.53 169.15 22.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.808 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.91 94.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.339 0.59 . . . . 0.0 109.957 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -83.36 97.36 8.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.231 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.4 t70 58.29 16.74 4.2 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.454 0.645 . . . . 0.0 111.253 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.16 3.06 27.98 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.554 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 58.3 t -109.8 128.14 66.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.553 0.216 . . . . 0.0 110.643 178.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.11 121.56 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 27.8 mt-30 -116.53 153.88 31.41 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.862 176.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.561 HD11 HD11 ' A' ' 30' ' ' ILE . 74.3 mt -122.95 127.91 49.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.895 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.989 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 10.4 ttp180 -110.56 115.19 29.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.082 0.468 . . . . 0.0 109.919 171.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -122.09 87.64 0.4 Allowed Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -70.86 86.95 0.37 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.232 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.76 177.53 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.485 ' OG ' ' HD3' ' A' ' 107' ' ' ARG . 47.8 t -157.58 -68.15 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.314 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 56.34 75.45 0.34 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.233 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 94.3 m95 -71.77 87.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 171.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 44.5 tptt -73.14 113.16 9.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.453 -175.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.05 115.24 13.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.052 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 mm -91.09 -81.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.874 -175.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.5 m -140.19 170.58 15.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.153 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 57.1 mtpt -79.07 144.85 34.2 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 99' ' ' VAL . 18.1 tt -68.62 -7.53 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.632 0.729 . . . . 0.0 110.279 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -74.88 -19.53 60.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.019 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -86.54 -42.78 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mt -79.87 104.91 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.039 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.18 156.6 91.62 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.617 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.57 142.85 95.67 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.493 2.128 . . . . 0.0 111.84 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 67.32 30.7 6.91 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.913 0.758 . . . . 0.0 110.785 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 m -127.34 136.33 51.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.525 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.76 136.01 10.42 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -126.0 158.26 35.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.856 0.36 . . . . 0.0 111.24 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -103.93 108.5 19.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.375 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.03 151.26 20.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.542 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -100.83 100.29 10.92 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -97.93 85.22 3.47 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.1 -116.88 4.91 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -168.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -107.47 0.75 23.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.311 0.577 . . . . 0.0 109.85 172.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -85.25 112.86 21.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.044 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -78.92 109.73 13.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.181 0.515 . . . . 0.0 109.767 175.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.55 HG11 HD13 ' A' ' 106' ' ' LEU . 31.4 t -101.91 129.38 53.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.21 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -90.62 106.89 18.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.346 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.522 HD11 HD11 ' A' ' 106' ' ' LEU . 52.1 mt -92.97 113.16 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.567 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.607 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 96.1 m-85 -107.54 122.83 47.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.79 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -106.47 100.12 28.34 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 167.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.497 ' HB2' HD13 ' A' ' 66' ' ' LEU . 73.6 Cg_endo -92.51 -25.01 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.763 2.309 . . . . 0.0 113.179 -177.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -98.64 166.18 11.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.171 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -83.21 -9.74 58.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.434 0.635 . . . . 0.0 109.369 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 m -79.65 -167.28 1.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.904 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -96.18 31.29 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.547 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -105.02 116.01 31.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.641 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.7 m -127.76 153.85 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.299 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -131.55 151.01 51.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.358 -0.383 . . . . 0.0 109.982 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -133.49 128.34 35.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.133 0.492 . . . . 0.0 111.541 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.9 pt -134.2 -176.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.134 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 54' ' ' LEU . 14.4 m -65.27 122.1 16.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 175.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.489 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 9.1 t30 -75.32 -31.74 60.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.795 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.637 HG12 ' O ' ' A' ' 52' ' ' SER . 22.2 mt -109.1 127.77 65.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.398 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -78.11 122.6 85.56 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.146 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 5.8 Cg_endo -87.17 -7.16 7.09 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.094 2.529 . . . . 0.0 113.497 -174.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -90.39 -56.4 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.079 0.466 . . . . 0.0 110.18 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.6 ' HZ ' ' HE2' ' A' ' 73' ' ' LYS . 49.0 t80 -95.32 -10.58 29.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.675 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 42.0 mt-10 65.43 64.4 0.6 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.361 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.6 m -102.45 117.42 34.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.84 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.637 ' O ' HG12 ' A' ' 45' ' ' ILE . 21.1 m -65.5 -42.19 92.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -167.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.701 HG21 ' HD3' ' A' ' 56' ' ' ARG . 6.6 m -128.72 124.01 60.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 43' ' ' SER . 74.9 mt -92.63 -24.28 18.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.084 167.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.607 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 3.4 p -63.77 -28.04 69.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.143 -175.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.701 ' HD3' HG21 ' A' ' 53' ' ' VAL . 69.2 mtp180 -86.99 41.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.843 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.55 164.64 24.61 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.146 -175.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 58' ' ' LEU . 2.8 mm? -81.71 142.76 32.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.79 0.328 . . . . 0.0 111.174 -172.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.25 105.3 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.627 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.99 149.67 32.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.297 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.0 141.73 43.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.729 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 67' ' ' TRP . 51.8 t-80 -129.36 78.2 1.84 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.618 172.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 59.76 18.68 7.49 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.649 174.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.75 -42.9 1.03 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.253 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.58 158.6 18.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 33' ' ' PRO . 88.8 mt -106.51 117.81 35.02 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.153 0.502 . . . . 0.0 110.158 175.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.431 ' CZ2' ' HD3' ' A' ' 78' ' ' ARG . 37.4 m95 -111.1 133.45 53.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.417 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -96.79 127.97 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.108 0.48 . . . . 0.0 110.204 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -111.97 116.89 31.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.486 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 p -80.5 123.18 82.97 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.52 0.06 8.07 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.79 2.326 . . . . 0.0 112.409 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.6 -61.44 2.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.6 ' HE2' ' HZ ' ' A' ' 49' ' ' PHE . 17.7 tptt -131.85 12.52 4.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.016 0.436 . . . . 0.0 109.976 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 62.19 67.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.048 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -110.31 147.49 33.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' HE3' ' A' ' 67' ' ' TRP . 20.5 ttt180 -124.69 117.91 25.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.152 0.501 . . . . 0.0 111.132 -172.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -119.22 142.08 48.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.441 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.431 ' HD3' ' CZ2' ' A' ' 67' ' ' TRP . 53.0 ttp180 -89.59 95.09 10.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 80' ' ' SER . 2.2 pp -62.61 -17.7 60.77 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.442 ' N ' HD12 ' A' ' 79' ' ' LEU . 45.9 t -62.94 -55.49 25.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.606 0.241 . . . . 0.0 111.022 -178.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -110.05 -12.88 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.571 0.224 . . . . 0.0 111.481 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.47 14.24 51.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.781 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.513 HD11 ' HG3' ' A' ' 88' ' ' GLU . 13.7 tp -77.45 145.29 37.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.769 0.318 . . . . 0.0 110.693 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.53 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 23.2 t -100.16 145.35 28.12 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 171.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.3 ttt -60.92 -62.62 1.73 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -173.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -12.74 30.61 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.53 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 11.9 t70 -98.26 10.74 39.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 109.759 176.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' HG3' HD11 ' A' ' 83' ' ' LEU . 35.1 tt0 -34.29 -38.17 0.06 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.758 1.223 . . . . 0.0 113.972 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.3 pm0 -59.47 -23.12 62.47 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -132.1 -65.41 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.222 -0.299 . . . . 0.0 110.943 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.3 m 69.35 179.88 0.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 112.288 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 m -91.24 -179.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.588 -174.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -90.05 124.79 35.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.853 -175.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -90.01 136.65 32.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.34 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.411 ' CD1' HG13 ' A' ' 28' ' ' VAL . 67.3 m-85 -109.52 135.7 50.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 37.6 mm-40 -77.49 120.4 22.42 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.277 -175.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.74 146.26 42.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.975 0.417 . . . . 0.0 111.524 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -150.23 156.49 41.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.594 173.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.423 HG21 HD12 ' A' ' 10' ' ' ILE . 63.5 t -104.3 99.85 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.125 0.488 . . . . 0.0 110.247 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -94.03 105.18 17.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.488 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.8 t70 63.14 11.01 4.94 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.547 0.689 . . . . 0.0 110.869 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.34 -4.27 26.66 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.354 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 59.6 t -102.12 130.92 51.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.886 0.343 . . . . 0.0 110.642 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 t -76.7 118.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 73.8 mt-30 -114.07 133.89 55.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.795 0.331 . . . . 0.0 110.735 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.55 HD13 HG11 ' A' ' 28' ' ' VAL . 45.4 mt -117.42 119.97 36.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.684 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.535 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 23.5 ttp180 -91.6 117.2 29.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.131 0.491 . . . . 0.0 110.102 173.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 167.17 -177.77 41.62 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.352 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.99 -58.09 0.68 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.803 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 C--O 1.247 0.933 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.227 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.956 0.408 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.52 ' HB3' HH11 ' A' ' 107' ' ' ARG . 12.3 p -144.63 89.83 2.02 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.0 0.429 . . . . 0.0 111.895 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -91.75 85.88 5.78 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 171.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.442 ' CD1' ' HB2' ' A' ' 2' ' ' SER . 95.7 m95 -84.7 102.36 12.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.018 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -79.71 125.82 30.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.915 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.09 138.49 49.79 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.445 HG13 HD11 ' A' ' 30' ' ' ILE . 50.1 mm -111.45 -72.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.424 0.631 . . . . 0.0 110.318 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.8 p -156.86 -165.05 1.76 Allowed 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -101.65 161.79 13.38 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.431 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.4 tp -65.9 -12.55 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.705 0.764 . . . . 0.0 110.031 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.46 -31.16 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.546 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.31 -37.42 77.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.498 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 mt -100.34 112.44 33.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.238 -173.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 80.2 mt -77.8 168.95 23.43 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.318 178.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.681 ' HG3' ' HB3' ' A' ' 35' ' ' HIS . 98.6 Cg_exo -50.66 133.77 39.14 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.766 2.311 . . . . 0.0 113.087 174.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.0 mp0 52.35 56.81 7.17 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.933 0.771 . . . . 0.0 111.053 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -136.34 147.15 47.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.779 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.77 137.37 10.82 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.938 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.1 m -118.76 167.06 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.665 0.269 . . . . 0.0 111.139 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -109.5 112.13 24.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.416 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.62 177.41 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.7 mt -123.66 132.61 53.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.952 0.406 . . . . 0.0 111.148 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -121.69 95.71 4.78 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.06 -120.72 10.83 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.434 -0.889 . . . . 0.0 110.943 -171.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -93.65 -22.43 18.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.022 0.439 . . . . 0.0 110.898 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.72 139.5 30.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.167 0.508 . . . . 0.0 111.343 -176.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -85.24 143.63 28.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.991 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.407 ' CG1' ' HB1' ' A' ' 41' ' ' ALA . 76.5 t -131.48 127.58 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.896 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.22 115.31 25.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.748 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.496 HD11 HD11 ' A' ' 106' ' ' LEU . 54.3 mt -97.93 116.42 40.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.62 131.63 54.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.697 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -103.19 99.96 16.14 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 171.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -85.36 -23.09 2.42 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.796 2.331 . . . . 0.0 112.5 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -117.71 130.4 56.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.681 ' HB3' ' HG3' ' A' ' 15' ' ' PRO . 2.5 p-80 -80.99 56.42 2.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.229 0.538 . . . . 0.0 111.056 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 p -135.18 -85.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.161 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.0 -35.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.685 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.82 114.74 4.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.111 -171.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.97 156.17 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.018 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -137.57 147.21 44.9 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' CG1' ' A' ' 28' ' ' VAL . . . -119.86 137.73 53.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.645 0.259 . . . . 0.0 111.326 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 93' ' ' LYS . 24.3 pt -144.36 -172.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.054 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 m -73.2 141.56 47.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.486 0.184 . . . . 0.0 111.149 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.52 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 6.1 m120 -78.1 -42.41 32.12 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.077 0.465 . . . . 0.0 110.477 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 51' ' ' SER . 25.9 mm -103.72 141.48 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.459 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.624 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -59.17 116.14 14.79 Favored Pre-proline 0 N--CA 1.466 0.36 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 170.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.85 -55.47 0.41 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.253 1.969 . . . . 0.0 112.078 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -91.64 -7.36 50.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.792 -174.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.624 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 85.6 t80 -114.19 -27.63 7.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -175.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 65.23 93.19 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.461 0.648 . . . . 0.0 111.189 -176.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 45' ' ' ILE . 98.1 p -126.55 -165.6 1.47 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 m -102.94 -168.68 1.55 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -68.39 124.61 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.491 0.662 . . . . 0.0 111.415 -175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 40.1 mt -74.04 -10.6 59.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.34 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 m -61.31 -22.81 65.23 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.503 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -97.18 41.28 1.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.443 0.64 . . . . 0.0 110.333 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.68 164.56 24.66 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.526 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 58' ' ' LEU . 2.3 mm? -95.46 126.78 40.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.849 0.357 . . . . 0.0 111.271 -168.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 16' ' ' GLU . 68.5 mt -78.5 123.93 36.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -136.15 -171.86 2.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.725 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -122.74 129.21 51.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.31 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -101.18 -43.9 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.589 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -152.48 60.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.155 0.503 . . . . 0.0 110.46 -178.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.62 -28.83 2.69 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.013 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -88.63 146.71 24.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.53 112.7 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.505 0.669 . . . . 0.0 110.854 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 24.9 m95 -111.13 152.17 27.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.068 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.9 p -96.47 125.82 49.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.177 0.513 . . . . 0.0 109.677 176.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -97.39 103.65 15.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.402 ' OG ' HD22 ' A' ' 54' ' ' LEU . 13.5 m -78.12 125.19 85.55 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.937 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 32.7 Cg_exo -58.66 -27.06 81.87 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.694 2.262 . . . . 0.0 111.697 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -81.61 116.73 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.015 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 75' ' ' GLN . 1.8 tmmt? 71.03 -6.81 1.22 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.246 0.619 . . . . 0.0 111.913 175.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm 64.98 28.66 12.5 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.044 0.45 . . . . 0.0 111.354 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 73' ' ' LYS . 3.2 pt20 -71.55 154.48 41.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.122 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -126.92 120.94 30.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.796 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.455 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 64.0 m-85 -118.05 130.97 56.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.253 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -91.14 97.24 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 79' ' ' LEU . 1.2 pp -65.28 -14.47 60.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.582 -173.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m -66.65 -46.88 74.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.534 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -117.54 -29.96 5.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.582 0.23 . . . . 0.0 111.117 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.0 -1.56 19.54 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.527 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.99 135.82 52.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 0.0 111.024 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 16.7 m -110.67 137.39 48.4 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 19.0 ttt -75.57 -62.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.77 0.319 . . . . 0.0 111.721 -172.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -84.87 -32.25 23.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.601 0.715 . . . . 0.0 109.82 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.452 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 1.0 OUTLIER -83.29 10.23 8.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.923 -178.462 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -42.65 -31.31 0.44 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.095 1.358 . . . . 0.0 113.408 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -53.71 -37.14 62.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.193 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -149.56 69.42 1.04 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.069 0.461 . . . . 0.0 110.151 -176.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.695 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 59.9 m -52.0 157.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.444 174.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.7 m -90.3 167.74 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -169.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 52.6 mtpt -76.01 117.0 17.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.64 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -97.1 115.04 26.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.082 0.468 . . . . 0.0 110.296 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -99.64 152.63 19.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.522 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.67 131.5 37.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.724 0.297 . . . . 0.0 110.601 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.8 141.53 50.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.305 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -149.78 159.43 44.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.707 0.289 . . . . 0.0 110.42 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -102.62 111.41 32.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.658 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' HG2' ' OD1' ' A' ' 101' ' ' ASP . 49.8 tttm -110.87 113.54 26.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.275 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.415 ' OD1' ' HG2' ' A' ' 100' ' ' LYS . 3.7 m-20 62.8 17.96 10.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.126 0.488 . . . . 0.0 110.218 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.53 -1.19 58.43 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.418 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.9 t -108.59 128.21 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.614 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.83 127.6 37.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.409 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -119.48 153.52 35.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.469 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 30' ' ' ILE . 88.8 mt -124.7 133.07 53.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.013 178.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.52 HH11 ' HB3' ' A' ' 2' ' ' SER . 49.1 ttp180 -117.14 104.69 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 170.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.41 112.83 1.97 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.219 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -87.99 88.47 1.56 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.615 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.466 -178.679 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 pmm? . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.476 0.179 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m 74.6 -69.82 0.17 Allowed 'General case' 0 C--O 1.232 0.16 0 O-C-N 123.99 0.806 . . . . 0.0 111.468 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 50.32 63.95 2.0 Allowed 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.668 0.605 . . . . 0.0 111.268 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -63.4 94.14 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.186 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -82.8 124.55 30.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.889 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -72.35 115.05 11.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.593 175.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.0 mm -88.94 -75.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.267 0.556 . . . . 0.0 110.714 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.7 m -150.06 -172.57 4.2 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 22.7 mtpt -92.02 157.73 16.62 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.928 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.494 HD11 ' HD2' ' A' ' 32' ' ' ARG . 11.0 tp -69.74 -15.19 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.327 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -65.45 -25.17 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.511 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -87.78 -10.12 51.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.239 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -117.32 113.86 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 90.6 mt -86.11 162.0 47.79 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.641 0.257 . . . . 0.0 111.132 -175.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 19.5 Cg_endo -60.08 122.91 12.12 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 122.428 2.085 . . . . 0.0 111.974 175.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 59' ' ' ILE . 69.4 mt-10 76.94 31.72 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.309 1.044 . . . . 0.0 111.895 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.3 p -130.55 161.12 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.704 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -136.48 139.7 10.87 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.616 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -120.59 160.99 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 m -93.85 109.3 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.552 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.82 27.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.048 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.1 104.97 14.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.074 0.464 . . . . 0.0 111.015 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.3 tp -91.07 95.03 9.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 175.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.72 -95.42 0.9 Allowed Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -169.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.53 -4.97 4.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.333 0.587 . . . . 0.0 110.117 169.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -80.49 132.66 35.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.016 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.36 115.88 25.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.687 0.756 . . . . 0.0 111.487 -176.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.7 t -107.47 132.76 54.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.698 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.53 109.96 21.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.705 0.288 . . . . 0.0 110.342 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.51 HD11 HD11 ' A' ' 106' ' ' LEU . 61.3 mt -96.82 108.95 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.961 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.455 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 94.2 m-85 -102.79 123.9 47.31 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HD2' HD11 ' A' ' 10' ' ' ILE . 77.0 ttt180 -101.54 99.94 12.77 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 169.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 87.0 Cg_endo -93.11 -19.08 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.726 2.284 . . . . 0.0 112.827 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -102.22 165.84 10.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.062 0.458 . . . . 0.0 110.769 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -79.66 -26.89 40.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 m -83.14 -162.43 0.61 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.305 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -80.99 13.41 2.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.095 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -85.57 103.77 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.034 0.445 . . . . 0.0 110.96 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.23 152.61 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.31 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.91 129.99 39.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.293 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 95' ' ' TYR . . . -111.43 130.17 55.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.041 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 pt -137.74 -172.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.232 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.494 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 35.3 t -68.65 149.58 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.61 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 64.9 t30 -95.54 -11.58 27.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -176.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 51' ' ' SER . 48.5 mm -119.65 142.68 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 4.5 m-20 -73.09 152.76 90.67 Favored Pre-proline 0 N--CA 1.472 0.629 0 CA-C-O 120.661 0.267 . . . . 0.0 110.997 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 6.0 Cg_exo -79.09 -79.44 0.0 OUTLIER 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 123.298 2.665 . . . . 0.0 113.487 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 90' ' ' PHE . 18.9 m-85 -81.16 -38.36 27.27 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.034 0.445 . . . . 0.0 110.322 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.532 ' CZ ' ' HE2' ' A' ' 73' ' ' LYS . 13.9 t80 -65.53 -31.88 73.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.282 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 43.25 75.18 0.1 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.323 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 45' ' ' ILE . 1.9 t -119.78 -165.61 1.19 Allowed 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 173.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -88.28 -153.65 0.25 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.228 0.537 . . . . 0.0 111.292 -173.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 44' ' ' ASN . 19.1 m -68.04 134.27 30.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.273 -171.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.4 mt -80.06 -11.7 59.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.216 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -59.29 -28.08 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.297 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -91.46 40.41 1.03 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.041 0.448 . . . . 0.0 110.09 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.48 164.74 24.59 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.747 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.4 pt? -102.43 162.28 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.037 0.446 . . . . 0.0 110.783 -176.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 16' ' ' GLU . 72.9 mt -114.56 133.57 60.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.619 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.03 151.27 50.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.4 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -95.88 130.35 42.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.126 0.489 . . . . 0.0 111.694 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -77.47 -59.97 2.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.01 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 178.33 92.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.99 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.97 3.25 84.28 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -173.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -129.41 124.29 33.79 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 91.2 mt -95.59 113.09 24.71 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.253 0.549 . . . . 0.0 109.914 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -102.81 148.53 25.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.689 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 14.8 p -99.4 137.87 25.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -122.87 114.47 20.52 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.946 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.0 m -78.19 115.59 52.11 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.506 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.35 23.1 0.55 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.921 2.414 . . . . 0.0 112.369 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 mt -80.87 -59.56 2.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.778 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.532 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 30.8 mtmm -134.68 -76.65 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.537 171.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 13.5 ptmm? -174.4 97.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.178 0.513 . . . . 0.0 111.326 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.6 pm0 -150.26 145.97 26.52 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.36 122.34 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -171.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 65.7 m-85 -113.41 128.93 56.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.994 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -80.57 101.44 9.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.84 -23.27 42.86 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -173.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.3 t -61.26 -17.28 52.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.381 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 33.0 t70 -143.84 -38.33 0.31 Allowed 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 120.63 0.252 . . . . 0.0 111.441 177.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.63 -1.37 24.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.2 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 tt -76.54 138.52 40.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.09 0.471 . . . . 0.0 110.949 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.505 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 53.8 t -98.93 154.75 17.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.34 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 52.9 ttm -81.9 -41.27 21.16 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.026 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -92.53 -26.93 17.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.981 0.419 . . . . 0.0 111.029 -176.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 9.6 m-20 -96.21 10.7 36.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.656 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 36.3 tt0 -34.03 -63.67 0.26 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -167.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.24 -27.33 68.37 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -171.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.514 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 61.5 t80 -133.74 67.08 1.53 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.525 0.679 . . . . 0.0 109.254 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.424 ' HB3' ' H ' ' A' ' 84' ' ' CYS . 0.3 OUTLIER -80.89 -168.57 1.83 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.192 179.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.494 ' HB ' ' HB3' ' A' ' 43' ' ' SER . 32.9 m -92.31 163.42 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.142 0.496 . . . . 0.0 111.963 -172.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.57 122.28 23.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.516 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 9.8 t-160 -85.88 119.43 26.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.603 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.408 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 80.4 m-85 -92.79 141.57 28.3 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 1.8 mp0 -79.79 107.65 12.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.913 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.45 152.68 32.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.447 -175.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -150.32 153.08 35.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.411 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.9 t -97.76 102.32 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.303 0.573 . . . . 0.0 109.776 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -92.52 96.33 10.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.269 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 60.65 19.38 9.36 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.257 0.348 . . . . 0.0 111.427 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.51 -9.26 28.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.513 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.65 129.51 52.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.536 0.208 . . . . 0.0 110.466 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.47 120.62 33.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -112.76 140.06 47.86 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.284 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 30' ' ' ILE . 65.2 mt -115.18 130.58 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.878 0.371 . . . . 0.0 111.183 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.461 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 10.8 ttp180 -111.42 117.67 33.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 171.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -165.0 157.42 29.87 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.134 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.92 -78.09 1.01 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.923 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.528 -0.749 . . . . 0.0 110.174 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.636 ' O ' ' HG3' ' A' ' 107' ' ' ARG . 61.6 m -147.46 -53.41 0.21 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 173.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 5.9 tp60 59.53 79.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.768 -174.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.426 ' CE2' ' HD3' ' A' ' 107' ' ' ARG . 96.2 m95 -91.7 90.49 7.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.925 172.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -95.19 131.3 41.39 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.832 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.456 ' HA ' ' HG2' ' A' ' 105' ' ' GLN . 7.0 p-10 -72.07 138.12 47.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.878 175.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.467 HG21 ' HB1' ' A' ' 21' ' ' ALA . 30.5 mm -102.24 -67.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.615 0.721 . . . . 0.0 109.445 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.0 p -155.43 174.74 14.82 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.47 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 9.8 mtmp? -73.74 154.23 39.69 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.653 HD12 HG21 ' A' ' 99' ' ' VAL . 19.3 tt -72.33 -11.88 15.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.918 0.865 . . . . 0.0 109.145 175.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.41 -28.39 67.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.565 174.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.459 ' OD1' ' HB2' ' A' ' 9' ' ' LYS . 4.6 m-20 -77.3 -29.77 53.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.884 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mt -105.37 103.81 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.386 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.35 156.57 91.68 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.442 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HB3' ' HA ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -60.36 146.58 96.35 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.329 2.019 . . . . 0.0 111.706 175.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 15' ' ' PRO . 25.5 mm-40 67.29 29.84 7.38 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.656 0.597 . . . . 0.0 110.628 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -130.59 144.21 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.83 133.01 7.44 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -128.7 171.44 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.783 0.325 . . . . 0.0 111.153 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -97.93 130.22 44.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.723 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB1' HG21 ' A' ' 7' ' ' ILE . . . -127.62 167.94 15.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.35 120.38 26.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.315 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD13 ' HB2' ' A' ' 106' ' ' LEU . 52.3 tp -96.69 85.84 3.94 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.16 -88.01 1.09 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -129.5 -4.65 4.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.384 0.611 . . . . 0.0 110.115 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -82.02 141.04 33.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.643 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -88.07 122.72 31.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.932 0.396 . . . . 0.0 110.539 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.436 HG11 HD13 ' A' ' 106' ' ' LEU . 44.2 t -129.37 139.38 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.412 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.79 116.9 33.74 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 106' ' ' LEU . 58.1 mt -103.28 122.83 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.05 0.452 . . . . 0.0 110.553 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 81.0 m-85 -115.87 129.45 56.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.16 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -111.7 99.9 46.46 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HB3' HG21 ' A' ' 59' ' ' ILE . 1.2 Cg_endo -83.14 -37.78 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.047 2.498 . . . . 0.0 112.335 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -90.34 160.29 16.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.224 0.535 . . . . 0.0 111.107 -175.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 11.5 m170 -76.45 -15.99 59.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.826 174.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 p -87.2 -163.24 0.89 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.203 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.446 ' HB2' ' HB ' ' A' ' 99' ' ' VAL . 7.7 p-10 -85.57 11.46 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.474 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -83.55 97.68 9.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.078 0.466 . . . . 0.0 110.965 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -115.37 155.31 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.298 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -127.5 141.53 51.63 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.65 130.22 37.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.893 0.378 . . . . 0.0 111.387 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.6 pt -138.65 172.35 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.94 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.643 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 20.0 p -64.83 136.48 56.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -84.06 -6.72 59.46 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -171.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 51' ' ' SER . 67.6 mt -109.84 123.11 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.593 0.235 . . . . 0.0 111.084 -176.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.844 ' HB2' ' H ' ' A' ' 50' ' ' GLU . 1.3 m-20 -61.83 132.93 93.55 Favored Pre-proline 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 177.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD3' HG12 ' A' ' 92' ' ' VAL . 2.8 Cg_endo -82.26 -13.66 9.89 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.282 1.988 . . . . 0.0 110.324 168.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.847 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 87.4 t80 -89.24 -55.32 3.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.289 -177.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -111.08 -22.11 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.085 -175.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.844 ' H ' ' HB2' ' A' ' 46' ' ' ASP . 39.1 mt-10 69.06 73.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.155 0.582 . . . . 0.0 112.211 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.469 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 48.4 t -109.09 161.68 14.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 171.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 p -87.3 -30.72 20.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 0.0 111.698 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.4 m -128.64 124.54 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.478 0.656 . . . . 0.0 111.829 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.8 mt -92.31 -7.62 47.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.932 170.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.451 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 6.0 m -74.83 0.84 14.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.482 -174.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -104.23 40.55 1.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.613 0.72 . . . . 0.0 109.725 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.88 164.58 24.72 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.958 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -96.41 139.59 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.737 0.303 . . . . 0.0 110.36 -177.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.537 HG21 ' HB3' ' A' ' 33' ' ' PRO . 61.2 mt -92.38 120.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.084 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.47 164.97 25.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.484 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -101.12 127.82 47.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.957 0.408 . . . . 0.0 111.106 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 11.6 t-160 -76.61 -49.95 15.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.386 175.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 7.9 tp-100 174.57 78.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.226 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.5 -31.24 4.59 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.46 -171.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -88.63 145.07 25.89 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 122.411 0.285 . . . . 0.0 110.63 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.97 119.23 38.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.179 0.514 . . . . 0.0 110.335 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.604 ' HZ3' ' HB2' ' A' ' 85' ' ' MET . 31.6 m95 -116.8 140.41 49.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.007 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.67 124.64 49.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.04 107.49 15.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.409 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.529 ' HB3' HD13 ' A' ' 72' ' ' LEU . 38.5 m -84.3 119.58 73.35 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.56 3.21 3.3 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.728 2.286 . . . . 0.0 112.46 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 70' ' ' SER . 7.4 mp -64.59 -72.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.863 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 26.8 mmtp -129.94 25.98 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 111.262 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.0 tptm 71.64 25.43 3.3 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.014 168.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.406 ' HG2' ' HB2' ' A' ' 70' ' ' SER . 1.4 pm0 -74.54 139.42 43.77 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.764 0.316 . . . . 0.0 110.356 177.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -127.03 132.37 50.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.744 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.404 ' HE1' ' HG3' ' A' ' 75' ' ' GLN . 79.2 m-85 -129.66 135.08 48.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.71 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -84.1 112.9 20.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.42 -26.3 68.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -170.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.7 m -68.74 -49.45 58.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -114.22 -17.39 11.87 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.05 14.52 51.56 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.416 HD12 ' OG ' ' A' ' 91' ' ' SER . 30.1 tp -72.16 134.83 45.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.828 0.347 . . . . 0.0 110.774 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.7 t -99.86 136.36 39.89 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 173.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.604 ' HB2' ' HZ3' ' A' ' 67' ' ' TRP . 16.5 ttt -67.74 -34.99 77.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.121 0.486 . . . . 0.0 110.352 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -87.89 -47.67 8.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.564 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.847 ' HB2' ' HB2' ' A' ' 48' ' ' PHE . 24.1 t70 -89.58 10.95 21.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.798 -174.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -37.62 -26.18 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -49.34 -38.59 28.52 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 122.825 0.45 . . . . 0.0 112.14 172.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -134.27 -52.75 0.83 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.137 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.416 ' OG ' HD12 ' A' ' 83' ' ' LEU . 48.7 m 72.04 -179.45 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.379 0.671 . . . . 0.0 111.893 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.643 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 31.6 m -92.12 -178.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.166 0.508 . . . . 0.0 111.854 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -97.99 119.84 37.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.866 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -90.95 134.81 34.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.74 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.417 ' CD2' ' HA3' ' A' ' 108' ' ' GLY . 76.8 m-85 -107.32 145.45 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.872 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -82.72 119.21 24.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.38 136.41 52.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.561 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -135.83 144.99 45.98 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.653 HG21 HD12 ' A' ' 10' ' ' ILE . 59.3 t -98.16 102.26 13.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -97.44 108.95 21.78 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.403 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.5 t70 62.74 25.22 14.99 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.535 0.683 . . . . 0.0 110.619 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.83 2.89 64.5 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.82 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 62.4 t -113.18 128.63 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.866 0.333 . . . . 0.0 110.37 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 t -75.09 119.92 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 6' ' ' ASP . 89.7 mt-30 -117.89 143.09 46.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.536 176.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.674 ' HB2' HD13 ' A' ' 23' ' ' LEU . 69.5 mt -120.04 139.12 53.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 2' ' ' SER . 8.4 ttp180 -115.69 115.64 26.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 172.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.417 ' HA3' ' CD2' ' A' ' 95' ' ' TYR . . . 176.2 87.29 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.135 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -112.68 -19.83 6.78 Favored Glycine 0 C--N 1.319 -0.391 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.174 177.812 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 121.017 0.437 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.499 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 5.3 p -166.88 101.72 0.55 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.054 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 0.4 OUTLIER -119.74 90.96 3.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.518 0.675 . . . . 0.0 109.715 172.671 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.504 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 97.7 m95 -80.57 92.73 5.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.986 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.74 116.8 17.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.399 -177.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.41 112.39 2.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.642 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.491 HD12 ' HB1' ' A' ' 21' ' ' ALA . 40.5 mm -87.36 -70.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.192 0.52 . . . . 0.0 110.118 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 p -157.14 177.87 10.99 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HG2' HG22 ' A' ' 103' ' ' VAL . 47.0 mtpt -87.9 161.03 17.7 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.079 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.97 -10.58 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 121.461 0.648 . . . . 0.0 110.71 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.42 -21.85 60.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.104 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -85.3 -44.97 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.915 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.673 HD12 HG21 ' A' ' 104' ' ' VAL . 41.5 mt -94.79 101.32 12.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.725 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.875 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -85.65 171.92 9.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.727 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.564 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 55.9 Cg_exo -53.17 138.46 63.37 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.653 2.235 . . . . 0.0 112.468 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 59' ' ' ILE . 73.9 mt-10 51.24 62.17 2.85 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.967 -175.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.663 ' OG1' ' HG ' ' A' ' 14' ' ' LEU . 24.2 m -144.86 136.13 25.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.12 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -125.02 132.85 8.25 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.782 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 m -117.91 169.7 8.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.837 0.351 . . . . 0.0 110.758 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -104.34 128.95 52.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.659 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB1' HD12 ' A' ' 7' ' ' ILE . . . -127.53 143.76 51.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.718 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.59 108.14 19.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.6 tp -93.86 91.88 7.15 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.92 -90.09 0.49 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 -174.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -129.59 0.67 4.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.237 0.541 . . . . 0.0 109.938 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -95.59 128.13 42.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.958 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -77.89 123.3 26.6 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.467 HG11 HD11 ' A' ' 106' ' ' LEU . 44.1 t -123.13 138.17 54.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.037 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' HB2' ' OD1' ' A' ' 44' ' ' ASN . . . -101.2 118.79 37.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.444 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CD1' HG13 ' A' ' 7' ' ' ILE . 61.2 mt -103.01 114.46 42.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.016 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.456 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 96.4 m-85 -112.13 130.59 55.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.472 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.53 ' HB2' HG12 ' A' ' 39' ' ' VAL . 79.5 ttt180 -101.93 99.98 13.6 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 170.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HB2' HD13 ' A' ' 66' ' ' LEU . 63.0 Cg_endo -95.06 -3.5 2.3 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.978 2.452 . . . . 0.0 112.853 -178.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -107.17 154.36 21.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.54 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -73.81 -22.57 59.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 p -85.09 -163.83 0.9 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.708 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -85.31 14.68 5.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.502 0.321 . . . . 0.0 111.464 -174.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -83.82 110.71 18.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.108 0.48 . . . . 0.0 111.179 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 32' ' ' ARG . 31.5 m -119.48 152.99 22.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.411 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -132.25 145.04 51.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.741 0.305 . . . . 0.0 110.322 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.27 136.13 55.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.951 0.405 . . . . 0.0 111.028 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.4 pt -134.88 162.64 38.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.524 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.539 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 18.8 t -57.89 134.15 56.07 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' OD1' ' HB2' ' A' ' 29' ' ' ALA . 59.0 t30 -93.59 11.59 28.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.564 -173.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 52' ' ' SER . 39.6 mm -127.68 136.69 59.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.228 176.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' OD2' ' HB3' ' A' ' 51' ' ' SER . 3.8 m-20 -74.85 129.18 83.9 Favored Pre-proline 0 N--CA 1.468 0.47 0 CA-C-N 117.795 0.271 . . . . 0.0 110.566 175.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.72 -54.55 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.521 2.147 . . . . 0.0 113.762 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -88.41 -41.51 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.004 0.431 . . . . 0.0 110.289 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -71.93 -26.77 62.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.303 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 61.5 79.54 0.25 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.824 0.821 . . . . 0.0 110.585 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.537 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 41.0 t -137.38 163.05 31.96 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.846 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.451 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 40.6 m -93.1 -140.48 0.21 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.638 0.256 . . . . 0.0 111.284 -175.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.3 m -67.71 129.31 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.986 0.898 . . . . 0.0 113.299 -167.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.2 mt -92.46 -7.46 47.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.475 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m -65.6 0.96 1.38 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -172.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.606 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 3.5 tpm_? -110.9 40.72 1.96 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.1 0.476 . . . . 0.0 110.373 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.32 164.82 24.53 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.034 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.739 HD23 ' H ' ' A' ' 58' ' ' LEU . 1.6 pt? -91.37 162.68 14.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.971 -175.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 16' ' ' GLU . 69.1 mt -109.69 126.76 66.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.02 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.87 119.02 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.051 0.453 . . . . 0.0 111.234 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.63 125.42 30.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.793 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.418 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 33.5 m170 -79.24 -84.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.623 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -114.28 -16.37 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.463 0.649 . . . . 0.0 109.955 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.52 -25.94 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.584 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' OE1' ' HB2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -88.54 145.49 25.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.174 0.511 . . . . 0.0 109.948 176.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 33' ' ' PRO . 28.1 mt -100.08 116.1 31.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.701 -174.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 48.5 m95 -112.93 140.18 47.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.449 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 7.3 p -100.82 133.69 43.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 172.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.5 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -110.75 115.61 29.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.263 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.722 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . 20.2 m -89.83 120.57 69.4 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.89 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.6 -4.23 8.0 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.223 2.615 . . . . 0.0 112.724 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.74 -51.37 69.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.854 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HB3' ' HE3' ' A' ' 73' ' ' LYS . 23.3 mmmt -141.47 20.69 2.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 -176.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 62.12 36.27 15.28 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -171.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.722 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 63.7 tt0 -73.96 144.27 45.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.415 -1.721 . . . . 0.0 110.881 -170.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -128.68 121.65 29.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.986 0.422 . . . . 0.0 111.906 -172.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.498 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 96.6 m-85 -119.0 132.33 56.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.862 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.516 ' HE ' ' HB3' ' A' ' 81' ' ' ASP . 52.8 ttp180 -85.88 90.16 7.99 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 68' ' ' VAL . 2.9 pp -64.31 -15.6 60.58 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -170.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.9 m -70.2 -19.01 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.828 0.347 . . . . 0.0 110.779 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.516 ' HB3' ' HE ' ' A' ' 78' ' ' ARG . 8.0 t70 -130.7 -46.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.779 -173.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.79 -13.63 9.87 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.657 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.409 HD11 ' HG3' ' A' ' 88' ' ' GLU . 19.6 tp -57.45 134.57 56.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.046 0.45 . . . . 0.0 111.484 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.514 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 43.6 t -106.72 146.52 30.71 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 171.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.0 ttt -77.73 -39.25 45.06 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.192 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' A' ' 75' ' ' GLN . 2.1 pm0 -91.47 -39.71 11.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.63 0.252 . . . . 0.0 111.507 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.514 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 11.3 t70 -82.42 10.51 7.0 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.386 0.612 . . . . 0.0 109.595 177.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' HG3' HD11 ' A' ' 83' ' ' LEU . 38.8 tt0 -34.89 -32.57 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.053 1.341 . . . . 0.0 114.143 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -57.84 -39.24 77.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.616 0.246 . . . . 0.0 111.64 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -118.81 -54.75 2.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.156 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.5 m 71.9 167.3 0.31 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.796 0.685 . . . . 0.0 110.909 -175.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 43' ' ' SER . 27.7 m -90.63 145.96 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.404 0.621 . . . . 0.0 111.606 -173.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -64.48 122.66 17.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.23 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -84.8 142.55 29.7 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.452 ' HD1' ' CA ' ' A' ' 108' ' ' GLY . 90.7 m-85 -121.3 163.11 19.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.728 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -99.08 117.55 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.53 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.26 147.06 46.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.829 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -149.2 163.95 36.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.491 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.74 111.03 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -116.39 116.78 28.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.657 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.0 t70 65.19 13.54 8.81 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.868 0.842 . . . . 0.0 110.055 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.84 10.04 58.0 Favored Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.886 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.516 HG22 ' HG2' ' A' ' 9' ' ' LYS . 92.1 t -111.77 129.99 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.673 HG21 HD12 ' A' ' 13' ' ' ILE . 24.7 t -76.39 114.41 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.504 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 70.1 mt-30 -108.51 144.06 36.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.467 HD11 HG11 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -121.97 119.49 31.63 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.548 -177.169 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.499 ' HD2' ' HA ' ' A' ' 2' ' ' SER . 38.0 ttp85 -111.5 119.77 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.452 ' CA ' ' HD1' ' A' ' 95' ' ' TYR . . . -122.81 132.03 8.5 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.083 -1.056 . . . . 0.0 112.613 -178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.23 55.78 4.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.312 177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.352 -0.833 . . . . 0.0 109.622 -178.547 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.96 0.409 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -107.57 68.68 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 110.969 178.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -73.55 85.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.599 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 96.6 m95 -86.61 98.25 10.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -76.3 129.36 36.54 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.223 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.77 98.46 5.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.438 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 mm -78.77 -81.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.928 0.394 . . . . 0.0 111.088 -174.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.9 p -152.41 169.11 23.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.53 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 48.5 mtmt -76.46 147.61 37.78 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.541 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.421 HD11 ' HD2' ' A' ' 32' ' ' ARG . 10.9 tp -63.07 -18.14 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.521 0.677 . . . . 0.0 110.06 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.75 -29.59 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.837 177.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.36 -52.79 9.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 111.408 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -75.41 110.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.048 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.9 mt -73.9 157.76 86.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.789 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.545 ' HB3' ' HA ' ' A' ' 35' ' ' HIS . 13.6 Cg_endo -56.18 136.15 73.69 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.794 2.329 . . . . 0.0 111.664 175.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 63.74 44.49 4.98 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.739 0.649 . . . . 0.0 111.361 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 m -135.98 133.63 37.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.63 134.6 11.22 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 173.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.2 164.1 28.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 111.876 -173.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.0 m -93.52 123.06 36.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.468 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.48 144.58 51.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.046 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.0 mt -102.98 113.65 27.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.006 0.432 . . . . 0.0 110.807 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 tp -94.31 83.21 4.17 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.29 -96.45 0.63 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.506 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.79 -5.71 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -100.35 139.23 36.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.599 -174.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -89.49 110.7 21.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.688 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.405 HG11 HD13 ' A' ' 106' ' ' LEU . 42.3 t -109.56 136.32 45.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.963 0.411 . . . . 0.0 110.75 -176.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.33 108.21 19.5 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.777 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.523 HD11 HD11 ' A' ' 106' ' ' LEU . 60.5 mt -87.62 108.79 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.743 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -102.8 123.39 46.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.777 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HD2' HD11 ' A' ' 10' ' ' ILE . 78.0 ttt180 -104.69 100.27 22.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 74.8 Cg_endo -84.74 -38.33 0.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.619 2.213 . . . . 0.0 113.135 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -93.87 165.6 12.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 41.4 t-80 -79.84 -21.15 44.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.994 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.9 m -84.67 -171.55 3.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.815 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.548 ' HB2' HG21 ' A' ' 99' ' ' VAL . 4.3 p-10 -78.96 68.37 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.847 0.832 . . . . 0.0 111.228 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.473 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 28.8 mm-40 -126.8 107.89 10.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.845 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.8 m -122.25 139.56 48.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.32 132.42 48.63 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.5 128.07 51.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.223 0.535 . . . . 0.0 111.839 -173.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 pt -128.28 176.85 6.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.644 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.1 t -64.23 126.45 27.79 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -73.18 -27.04 61.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.405 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.3 mm -109.58 129.74 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.609 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 0.3 OUTLIER -89.56 118.32 68.94 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.23 176.643 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -94.5 -0.9 2.83 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.001 2.467 . . . . 0.0 113.741 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -91.48 -57.54 2.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.135 0.493 . . . . 0.0 109.761 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 68.0 t80 -91.95 -5.66 52.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 61.83 74.92 0.43 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.766 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.609 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 10.0 m -117.23 153.02 33.61 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.706 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.467 ' HB2' ' H ' ' A' ' 53' ' ' VAL . 2.8 p -79.0 -145.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.933 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' H ' ' HB2' ' A' ' 52' ' ' SER . 29.0 m -68.15 127.01 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.427 0.632 . . . . 0.0 111.782 -174.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.56 -6.88 58.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.692 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 p -64.34 -22.26 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.436 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 2.0 ptm180 -86.11 40.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.917 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 71' ' ' PRO . . . -134.57 164.73 24.62 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.75 -173.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 pp -96.25 145.14 25.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.976 0.417 . . . . 0.0 111.187 -173.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.56 131.46 60.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.188 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.6 161.43 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.436 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -125.75 136.22 52.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -95.98 -53.81 3.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.092 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -161.19 73.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.06 -27.18 3.13 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.043 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CD ' ' HD2' ' A' ' 78' ' ' ARG . 7.9 tp10 -88.58 135.67 33.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.56 130.21 49.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.392 -172.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.41 ' CZ3' ' HG2' ' A' ' 85' ' ' MET . 89.4 m95 -127.36 135.15 50.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.37 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.547 ' HB ' HD23 ' A' ' 79' ' ' LEU . 7.4 p -111.9 128.0 68.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.031 0.443 . . . . 0.0 110.063 176.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.17 114.69 29.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.22 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.768 ' HB3' HD13 ' A' ' 72' ' ' LEU . 16.9 m -89.77 116.43 66.33 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.702 -177.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.0 Cg_exo -74.2 23.52 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.715 2.943 . . . . 0.0 112.295 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' A' ' 70' ' ' SER . 6.8 mp -83.2 -18.05 40.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.602 0.715 . . . . 0.0 109.135 176.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 74' ' ' LYS . 14.3 tppt? -160.38 -83.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.753 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 73' ' ' LYS . 15.2 tptp -174.99 21.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 175.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -85.5 142.51 29.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.991 -170.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -124.58 134.87 52.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.424 0.631 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -118.95 145.09 46.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.18 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.563 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 19.1 ttp180 -93.72 90.11 6.45 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.547 HD23 ' HB ' ' A' ' 68' ' ' VAL . 2.2 pp -66.36 -13.38 60.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -170.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.411 ' OG ' ' HG2' ' A' ' 78' ' ' ARG . 8.7 p -64.39 -49.03 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.853 0.358 . . . . 0.0 111.02 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -119.77 4.31 11.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.956 0.408 . . . . 0.0 111.232 -178.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.75 38.29 24.19 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.906 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 78' ' ' ARG . 16.6 tp -98.28 145.66 26.43 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 51.9 m -103.68 143.86 32.21 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.41 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 58.9 mtp -64.58 -54.99 23.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.928 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.92 -41.29 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.383 0.611 . . . . 0.0 110.697 -177.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 84' ' ' CYS . 0.7 OUTLIER -82.14 10.4 6.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.975 -176.13 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.515 ' HG3' HD11 ' A' ' 83' ' ' LEU . 34.9 tt0 -33.73 -50.51 0.36 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.544 1.538 . . . . 0.0 114.526 -171.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -60.15 -26.64 66.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -113.71 -59.12 2.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.731 0.3 . . . . 0.0 110.272 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.567 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 64.9 m 63.05 179.76 0.15 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.292 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 m -94.54 178.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.558 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -77.95 126.06 30.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.909 0.385 . . . . 0.0 111.082 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -89.53 127.08 35.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.898 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -102.61 138.07 40.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -88.6 117.27 27.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.017 0.437 . . . . 0.0 110.16 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.54 156.78 27.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.239 -175.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -152.98 157.41 40.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.567 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 37' ' ' ASP . 46.2 t -99.9 103.84 15.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.193 0.52 . . . . 0.0 109.992 175.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -91.43 94.14 9.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.424 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 t70 60.31 24.22 13.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.262 174.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.8 4.62 34.01 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.152 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.578 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 33.4 t -118.26 141.51 37.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.984 0.392 . . . . 0.0 110.332 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 t -82.95 115.62 25.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.779 0.323 . . . . 0.0 110.773 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 10.5 mm100 -105.21 138.58 41.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.859 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.523 HD11 HD11 ' A' ' 30' ' ' ILE . 90.9 mt -121.81 123.58 42.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.894 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 107' ' ' ARG . 42.4 ttp85 -110.52 105.49 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.221 0.534 . . . . 0.0 109.566 171.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.62 -110.69 1.7 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.469 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -125.57 147.13 16.5 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.172 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.542 177.298 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.563 ' HA ' ' HG3' ' A' ' 107' ' ' ARG . 4.0 p -80.22 39.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 76.79 10.16 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 174.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 75.3 m95 -61.63 103.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.981 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' HB3' ' HE2' ' A' ' 5' ' ' LYS . 47.2 mtpt -72.6 134.54 45.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.393 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -82.03 107.12 14.48 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.8 mm -87.12 -73.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.1 0.476 . . . . 0.0 110.939 -176.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 t -161.26 168.87 23.25 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 54.4 mmtt -69.06 148.79 49.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.502 HD11 ' HD2' ' A' ' 32' ' ' ARG . 10.7 tp -69.69 -13.85 17.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.66 0.743 . . . . 0.0 109.942 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.67 -27.14 67.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.865 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.78 -40.94 46.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.743 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.511 HD12 HG21 ' A' ' 104' ' ' VAL . 41.1 mt -90.48 109.37 20.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.36 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 83.1 mt -79.22 166.72 39.94 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 16.0 Cg_endo -59.48 144.58 99.38 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.306 2.004 . . . . 0.0 111.972 174.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 59' ' ' ILE . 43.0 mt-10 62.36 28.26 16.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.307 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 m -121.34 136.74 54.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.918 0.39 . . . . 0.0 111.284 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -121.28 143.04 15.83 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.28 157.5 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.845 0.322 . . . . 0.0 110.724 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -97.07 131.51 43.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.901 0.382 . . . . 0.0 110.858 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.33 178.34 7.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.654 176.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.31 138.44 54.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.917 0.389 . . . . 0.0 111.036 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD12 ' HB3' ' A' ' 106' ' ' LEU . 4.9 tt -141.03 101.4 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.62 -103.18 2.51 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -177.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -129.49 1.44 5.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.071 0.462 . . . . 0.0 110.084 174.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -103.09 144.75 30.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.823 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.424 ' H ' ' CD ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -86.24 124.6 32.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.852 176.182 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -109.05 133.32 54.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.427 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.02 114.46 27.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.851 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.523 HD11 HD11 ' A' ' 106' ' ' LEU . 46.2 mt -94.55 111.52 25.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.07 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.432 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 97.5 m-85 -108.37 125.5 51.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 -178.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.502 ' HD2' HD11 ' A' ' 10' ' ' ILE . 76.1 ttt180 -101.16 100.13 12.54 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.476 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 87.1 Cg_endo -86.7 -38.71 0.08 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.589 2.193 . . . . 0.0 113.005 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.417 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 96.6 m-85 -90.1 164.32 14.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.764 0.316 . . . . 0.0 110.423 -178.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 2.1 t60 -79.71 -9.54 59.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.196 0.522 . . . . 0.0 110.284 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -100.57 -155.7 0.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.15 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -82.15 0.75 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.72 0.408 . . . . 0.0 111.822 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.476 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 46.2 mt-30 -70.57 106.07 3.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.847 0.356 . . . . 0.0 110.739 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 m -126.83 154.44 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.873 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -140.47 149.55 42.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.43 140.78 47.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.942 0.401 . . . . 0.0 111.244 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.2 pt -139.98 173.4 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.66 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.61 ' OG ' ' HB ' ' A' ' 92' ' ' VAL . 13.9 p -64.35 134.18 54.11 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.551 HD21 HG12 ' A' ' 53' ' ' VAL . 66.7 t30 -80.62 6.15 13.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.634 -172.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.1 129.86 61.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.663 ' HB2' HD21 ' A' ' 54' ' ' LEU . 5.1 t70 -92.08 114.46 62.2 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 169.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.55 -1.57 9.67 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.475 2.117 . . . . 0.0 113.862 -174.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -91.51 -58.47 2.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.967 0.413 . . . . 0.0 110.349 -178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -96.01 -5.24 41.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.094 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 65.97 54.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.485 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 46' ' ' ASP . 13.1 p -102.53 129.77 49.17 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -12.27 60.02 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.551 HG12 HD21 ' A' ' 44' ' ' ASN . 13.7 m -128.69 123.94 60.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.235 -0.586 . . . . 0.0 112.171 175.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 46' ' ' ASP . 74.6 mt -92.64 -18.06 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 166.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -65.2 -12.93 56.48 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.384 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 6.8 tpm_? -99.01 41.24 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.492 0.663 . . . . 0.0 109.849 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.55 164.63 24.61 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.662 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.4 149.28 21.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.845 0.355 . . . . 0.0 110.755 -173.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 16' ' ' GLU . 66.1 mt -94.92 117.5 38.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.037 177.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.76 130.49 55.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.498 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HG2' ' H ' ' A' ' 62' ' ' HIS . 26.7 tt0 -77.34 171.64 14.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.884 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.42 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 17.4 t-80 -145.61 -85.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 174.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -129.49 76.06 1.7 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.77 -18.84 6.83 Favored Glycine 0 CA--C 1.517 0.216 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.725 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -88.69 142.52 27.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.333 -0.434 . . . . 0.0 109.838 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 95.2 mt -112.42 106.99 15.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.201 0.524 . . . . 0.0 109.726 174.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -96.63 148.67 22.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.02 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 8.2 p -98.84 127.5 51.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 171.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -112.32 123.78 51.03 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.945 -176.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.3 m -78.01 113.55 34.15 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.898 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.05 -6.81 16.94 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.865 2.377 . . . . 0.0 112.959 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 72' ' ' LEU . 6.1 mp -63.8 -37.37 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.004 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.941 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 4.8 mmpt? -146.46 -99.27 0.09 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.34 175.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -150.04 14.69 0.82 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.48 ' OE1' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -73.76 127.24 32.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.396 -175.203 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 76' ' ' ARG . 55.4 mtt180 -113.97 128.59 56.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.264 173.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.448 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 61.7 m-85 -116.68 126.99 54.0 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -83.85 115.43 22.25 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.48 -22.71 63.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.337 -172.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -60.31 -57.46 12.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.334 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.69 -28.31 12.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.383 -175.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.63 20.58 36.98 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -168.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 88' ' ' GLU . 7.3 tp -84.18 141.04 31.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.775 -0.712 . . . . 0.0 110.774 -177.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.664 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 41.0 m -85.21 146.02 27.3 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 172.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.4 ttt -57.78 -72.07 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.525 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -92.79 -25.58 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.165 0.507 . . . . 0.0 110.961 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.512 ' HB3' ' HD2' ' A' ' 90' ' ' PHE . 18.7 m-20 -85.0 10.5 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.277 -177.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.428 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.0 pt-20 -37.03 -35.05 0.09 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -176.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.36 -21.86 66.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.749 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.512 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 31.1 m-85 -93.96 -72.39 0.61 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.664 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 70.5 m 61.89 176.32 0.12 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.157 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.61 ' HB ' ' OG ' ' A' ' 43' ' ' SER . 35.4 m -121.98 172.88 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.08 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HE2' ' CE1' ' A' ' 95' ' ' TYR . 7.6 ttpm? -85.57 131.6 34.33 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -88.68 143.45 26.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.068 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.452 ' CE1' ' HE2' ' A' ' 93' ' ' LYS . 66.6 m-85 -119.16 126.98 52.87 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.0 125.82 28.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.697 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -125.45 139.68 53.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.103 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -152.3 165.49 34.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.076 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.2 t -97.28 116.84 40.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.208 0.527 . . . . 0.0 110.839 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.633 ' HZ2' ' HB3' ' A' ' 100' ' ' LYS . 2.1 ttpm? -117.92 110.9 18.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.448 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 60.32 28.1 17.69 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 122.163 0.982 . . . . 0.0 109.59 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.59 -5.31 83.82 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.108 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 38.7 t -100.86 135.48 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.916 0.358 . . . . 0.0 110.474 -176.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 13' ' ' ILE . 43.7 t -74.43 118.64 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.319 177.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.541 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 11.8 mm100 -100.9 142.78 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.507 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.523 HD11 HD11 ' A' ' 30' ' ' ILE . 35.3 mt -122.92 124.71 43.82 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.468 0.48 . . . . 0.0 111.372 176.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.563 ' HG3' ' HA ' ' A' ' 2' ' ' SER . 9.3 ttp180 -115.71 123.11 47.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 172.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -116.35 165.9 12.31 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.002 -1.094 . . . . 0.0 112.796 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.51 -121.79 5.54 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.524 -0.631 . . . . 0.0 111.524 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.25 1.103 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.912 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.348 0.594 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.64 41.17 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.998 -175.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -66.75 97.58 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.816 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.503 ' CE2' ' HD3' ' A' ' 107' ' ' ARG . 86.1 m95 -70.4 99.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -93.15 117.46 30.09 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.88 106.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.874 170.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.448 HD12 ' HB1' ' A' ' 21' ' ' ALA . 43.4 mm -80.99 -70.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.292 0.568 . . . . 0.0 110.644 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 t -159.15 169.53 23.98 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HG2' HG22 ' A' ' 103' ' ' VAL . 96.0 mttt -83.11 151.27 25.82 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.05 0.452 . . . . 0.0 110.528 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tp -66.24 -7.86 6.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.51 0.672 . . . . 0.0 110.551 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.35 -22.05 61.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.539 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.31 -38.83 13.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.083 0.468 . . . . 0.0 110.922 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.652 HD12 HG21 ' A' ' 104' ' ' VAL . 39.7 mt -81.39 99.09 4.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.244 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.1 166.03 48.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.626 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.37 142.27 88.66 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 60.2 28.25 17.82 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.423 0.689 . . . . 0.0 111.458 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -118.79 126.82 52.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.021 0.439 . . . . 0.0 111.231 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.574 ' HA2' ' HA ' ' A' ' 31' ' ' PHE . . . -105.46 134.79 12.24 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 171.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.09 172.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.902 0.351 . . . . 0.0 111.369 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.59 112.34 24.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.311 0.576 . . . . 0.0 111.007 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -103.12 117.89 35.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.455 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.69 107.9 17.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.906 0.384 . . . . 0.0 110.604 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.731 ' HG ' ' HB2' ' A' ' 110' ' ' SER . 47.4 tp -107.82 101.97 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 174.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.3 -102.75 1.21 Allowed Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -172.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -129.37 0.58 5.08 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 171.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.93 122.46 32.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.251 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -80.99 118.62 22.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.952 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 21' ' ' ALA . 44.8 t -99.47 132.05 45.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.026 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -99.48 107.72 19.99 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -100.56 103.79 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.967 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.574 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 88.9 m-85 -96.6 124.51 40.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.243 -177.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -98.43 99.71 7.86 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 166.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 48.6 Cg_endo -93.41 -1.61 3.35 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 123.072 2.515 . . . . 0.0 113.62 -173.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -128.22 175.96 8.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.404 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -83.61 -9.42 58.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.372 0.606 . . . . 0.0 109.573 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 p -88.92 -169.52 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.629 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -91.78 20.26 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 111.327 -177.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.438 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 17.7 mm100 -77.49 114.33 16.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.102 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 m -125.03 139.3 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.889 0.376 . . . . 0.0 110.539 -178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -124.26 124.01 41.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.07 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -108.71 124.37 50.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.406 -176.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.5 pt -130.14 -172.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.104 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.9 m -71.35 125.06 25.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.525 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 65.7 t30 -78.37 -24.57 46.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.035 0.445 . . . . 0.0 110.768 -176.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.3 mm -107.61 131.42 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.347 177.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.715 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 9.6 t70 -68.22 132.12 91.8 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.388 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 9.4 Cg_endo -91.58 -47.81 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.349 2.7 . . . . 0.0 114.13 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HB2' ' OD2' ' A' ' 87' ' ' ASP . 72.5 t80 -69.96 -47.04 63.88 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.325 0.583 . . . . 0.0 111.404 -173.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -98.37 -27.56 14.04 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.19 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.715 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 39.4 tt0 67.61 111.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.698 -176.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.521 ' N ' ' HB3' ' A' ' 46' ' ' ASP . 18.9 m -145.98 -177.03 5.38 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.47 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 m -86.92 -162.19 0.76 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.781 0.324 . . . . 0.0 110.829 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.37 140.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.928 -174.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.2 mt -86.29 -3.69 59.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.192 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t -62.07 -19.82 63.34 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.087 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -104.42 40.56 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.67 0.747 . . . . 0.0 109.905 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.43 164.57 24.58 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.488 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -97.33 146.18 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.009 0.433 . . . . 0.0 111.106 -171.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -101.08 122.32 53.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.295 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.95 -178.01 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' HG3' HD23 ' A' ' 66' ' ' LEU . 33.6 tt0 -118.78 139.95 50.75 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.668 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.482 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 27.6 t-80 -76.97 -60.26 2.43 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 7.3 tt0 170.41 81.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.446 -1.252 . . . . 0.0 107.656 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.32 -51.83 0.78 Allowed Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -171.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -96.43 145.7 25.43 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.76 0.314 . . . . 0.0 111.024 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.474 HD23 ' HG3' ' A' ' 61' ' ' GLU . 89.9 mt -94.36 138.86 31.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.994 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.437 ' HZ3' ' HB2' ' A' ' 85' ' ' MET . 14.1 m95 -127.75 146.2 50.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.212 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.486 ' HB ' HD21 ' A' ' 79' ' ' LEU . 9.3 p -96.85 134.72 33.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.039 0.447 . . . . 0.0 110.524 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -106.76 127.02 53.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.213 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 73' ' ' LYS . 15.2 t -87.49 127.13 59.74 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.856 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -85.34 -6.31 9.17 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.749 2.3 . . . . 0.0 111.224 171.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.9 mt -75.91 -46.57 29.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 70' ' ' SER . 0.1 OUTLIER -147.37 134.86 20.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 171.227 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -61.65 100.83 0.16 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.104 0.478 . . . . 0.0 110.442 -176.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.436 HE21 ' HG3' ' A' ' 86' ' ' GLU . 35.2 tt0 -168.33 153.27 6.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -174.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -127.44 143.47 51.2 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.423 0.63 . . . . 0.0 112.462 -174.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.474 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 32.4 m-85 -121.24 138.98 53.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.876 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.774 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 73.1 ttt180 -76.61 120.38 21.72 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.486 HD21 ' HB ' ' A' ' 68' ' ' VAL . 90.1 mt -73.8 -47.77 36.39 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -176.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -45.26 84.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.09 0.471 . . . . 0.0 111.663 -175.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.774 ' HB3' ' HD3' ' A' ' 78' ' ' ARG . 5.7 t70 -106.84 -48.17 3.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.978 -172.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.571 ' O ' HG22 ' A' ' 92' ' ' VAL . . . 118.71 -3.43 15.05 Favored Glycine 0 C--N 1.323 -0.193 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.004 -178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.8 tp -58.41 101.91 0.1 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.496 -0.352 . . . . 0.0 111.656 175.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 26.1 t -74.43 126.02 29.81 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 167.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.437 ' HB2' ' HZ3' ' A' ' 67' ' ' TRP . 11.8 ttt -62.62 -26.93 68.87 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.741 -0.383 . . . . 0.0 111.976 -170.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' HG3' HE21 ' A' ' 75' ' ' GLN . 49.1 mm-40 -92.55 -11.13 35.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 111.642 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 9.0 t0 -106.91 10.71 30.48 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -34.17 -36.65 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -172.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -61.37 -47.03 87.72 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -114.89 -38.49 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.539 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 42.7 m 71.68 -176.4 0.19 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.117 0.567 . . . . 0.0 111.01 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 82' ' ' GLY . 15.3 m -99.23 174.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.783 0.325 . . . . 0.0 110.604 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -85.25 109.56 18.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -86.89 121.69 29.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.925 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -96.31 164.47 12.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.699 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -100.88 113.15 25.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.552 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 105' ' ' GLN . . . -120.67 142.67 49.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.549 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -147.04 151.5 37.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.17 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.3 t -96.06 92.36 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.15 0.5 . . . . 0.0 110.158 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -94.68 113.61 25.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.014 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 62.66 18.25 10.42 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.265 0.353 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.86 5.07 63.01 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.153 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 9' ' ' LYS . 67.4 t -111.29 126.69 68.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.744 0.307 . . . . 0.0 110.518 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.652 HG21 HD12 ' A' ' 13' ' ' ILE . 20.8 t -77.65 112.42 15.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.465 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 75.0 mt-30 -102.57 138.85 38.93 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.048 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.434 HD12 HD22 ' A' ' 23' ' ' LEU . 2.6 tm? -118.49 126.41 51.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.392 -176.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.503 ' HD3' ' CE2' ' A' ' 4' ' ' TRP . 6.5 ttp180 -117.98 136.64 53.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.922 174.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -149.38 -100.97 0.23 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.438 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.73 50.56 0.17 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.731 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 5.0 m . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.81 -0.614 . . . . 0.0 109.696 -175.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.583 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 50.4 m -131.82 -21.28 2.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.25 -177.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 61.65 45.27 8.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.672 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -70.05 107.77 3.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.998 174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -97.61 123.96 41.7 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.044 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.4 136.71 53.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 mm -102.89 -67.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.23 0.538 . . . . 0.0 109.779 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 p -158.46 -175.66 5.45 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 62.4 mttm -83.04 149.46 26.93 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.663 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.52 HD12 HG21 ' A' ' 99' ' ' VAL . 18.1 tt -71.1 -18.12 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.283 0.563 . . . . 0.0 110.465 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -64.26 -29.32 70.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.18 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.97 -24.59 63.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.97 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 mt -103.58 106.0 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.157 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.27 158.25 88.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.013 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.71 142.44 98.61 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.255 1.97 . . . . 0.0 111.302 174.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 70.09 24.48 5.0 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.827 0.704 . . . . 0.0 110.96 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -120.68 143.96 48.45 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.002 0.429 . . . . 0.0 111.27 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.09 143.7 15.29 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.03 175.11 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.709 0.29 . . . . 0.0 111.122 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -109.76 143.35 39.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.378 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.01 160.56 39.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.636 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.2 122.56 46.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.953 0.406 . . . . 0.0 110.995 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 tt -122.78 102.88 8.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.4 -100.76 0.83 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.405 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -123.77 -7.73 7.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.163 0.506 . . . . 0.0 109.965 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -93.06 129.12 39.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.893 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -81.57 122.61 27.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.768 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -111.25 138.47 39.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.227 -174.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.31 116.22 32.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.188 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.438 HD11 HD11 ' A' ' 106' ' ' LEU . 61.0 mt -98.86 115.14 38.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.172 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -111.97 124.77 53.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.359 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -111.74 100.01 46.91 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.494 ' HB2' HD13 ' A' ' 66' ' ' LEU . 55.8 Cg_endo -89.47 -35.72 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.539 2.159 . . . . 0.0 112.93 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -89.89 168.17 12.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.166 0.507 . . . . 0.0 111.313 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -86.09 -17.23 35.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.787 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 m -72.34 -171.79 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.588 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -89.07 5.26 45.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.025 0.441 . . . . 0.0 110.766 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -78.46 109.38 12.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.051 0.453 . . . . 0.0 110.768 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -115.35 160.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.205 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -128.44 133.82 48.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.777 0.322 . . . . 0.0 110.407 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.81 119.96 33.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.178 0.513 . . . . 0.0 111.167 -176.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.5 pt -124.77 175.3 7.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.679 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.0 t -62.77 133.98 55.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.647 HD21 HG12 ' A' ' 53' ' ' VAL . 67.0 t30 -89.33 -4.15 58.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.164 0.507 . . . . 0.0 110.563 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.34 124.98 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -175.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.763 ' HB2' HD21 ' A' ' 54' ' ' LEU . 6.1 t70 -89.29 126.01 59.99 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.872 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 2.9 Cg_endo -86.9 -8.41 6.83 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.089 2.526 . . . . 0.0 113.367 -177.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -85.39 -51.68 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.653 0.264 . . . . 0.0 111.032 -174.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.594 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 97.3 m-85 -105.47 -1.23 25.17 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 42.6 mt-10 62.1 60.19 1.53 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.306 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.584 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 47.6 t -102.23 143.15 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.769 -177.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 p -81.52 -23.38 37.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.996 -175.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.647 HG12 HD21 ' A' ' 44' ' ' ASN . 16.6 m -128.52 124.05 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.391 0.615 . . . . 0.0 112.456 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 46' ' ' ASP . 63.5 mt -92.48 -12.82 31.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.999 168.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 p -71.04 -1.59 12.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.859 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -93.75 40.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.74 164.69 24.67 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.853 -176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.68 144.91 28.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.689 0.28 . . . . 0.0 111.014 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.7 mt -90.14 127.72 42.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.156 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.38 139.16 28.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -89.37 135.26 33.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.625 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -88.53 -71.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -150.28 97.51 2.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.826 175.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.73 -46.93 3.56 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.722 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -88.87 138.67 31.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.494 HD13 ' HB2' ' A' ' 33' ' ' PRO . 90.3 mt -88.67 130.69 35.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.419 178.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.449 ' CE3' ' HG2' ' A' ' 76' ' ' ARG . 35.1 m95 -118.81 159.7 23.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.106 -177.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 p -115.48 134.4 58.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -109.99 116.66 31.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.043 0.449 . . . . 0.0 111.257 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 75' ' ' GLN . 40.5 t -85.11 124.24 72.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.077 177.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 5.0 Cg_exo -75.48 5.66 4.08 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.304 2.67 . . . . 0.0 113.0 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.72 -56.01 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.299 . . . . 0.0 110.55 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.594 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 32.7 tptt -146.65 27.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.914 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt 64.62 61.8 0.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.83 0.824 . . . . 0.0 110.199 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.531 ' HB2' ' HB3' ' A' ' 70' ' ' SER . 29.8 mt-30 -99.87 130.48 46.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.179 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.449 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 13.4 ttm180 -119.07 123.13 43.7 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.477 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -115.01 149.21 37.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.083 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.479 ' NH2' HD22 ' A' ' 83' ' ' LEU . 53.3 ttp180 -94.12 122.05 36.25 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.41 -8.77 57.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.059 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.3 m -58.46 -30.73 67.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 111.167 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -147.63 -70.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.103 0.478 . . . . 0.0 110.067 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.11 42.17 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.551 HD11 ' HG3' ' A' ' 88' ' ' GLU . 6.4 tp -101.99 149.52 24.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.291 -0.454 . . . . 0.0 110.42 -174.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 42.1 t -96.86 149.71 21.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 172.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -63.01 1.45 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.693 0.282 . . . . 0.0 111.019 -175.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -88.07 -32.48 18.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.218 0.532 . . . . 0.0 110.694 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 3.3 t0 -81.08 10.71 4.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.288 -175.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.551 ' HG3' HD11 ' A' ' 83' ' ' LEU . 42.0 tt0 -34.2 -38.69 0.07 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.218 1.007 . . . . 0.0 113.405 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.83 -41.49 87.02 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.422 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -137.96 83.91 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.5 . . . . 0.0 109.898 -177.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -97.91 -164.55 1.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.536 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -93.11 178.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.259 0.552 . . . . 0.0 112.099 -173.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -88.09 134.6 33.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.944 -174.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -105.8 127.86 53.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.261 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -106.65 146.72 30.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -80.72 137.47 36.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.58 148.61 50.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.709 0.29 . . . . 0.0 111.166 -177.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -146.68 158.97 44.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.942 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.52 HG21 HD12 ' A' ' 10' ' ' ILE . 95.2 t -114.14 110.39 31.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.195 0.521 . . . . 0.0 109.857 175.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -116.35 116.34 27.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.129 -176.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 61.73 25.64 15.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.283 0.564 . . . . 0.0 109.976 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.66 8.06 80.73 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.611 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 24.4 t -109.76 132.2 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.979 0.39 . . . . 0.0 110.552 -177.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.89 115.24 20.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -112.71 137.64 50.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.438 HD11 HD11 ' A' ' 30' ' ' ILE . 83.1 mt -112.77 138.84 48.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.022 0.439 . . . . 0.0 111.27 -177.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.583 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 33.4 ttt-85 -123.28 141.98 51.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.483 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.51 -72.75 0.21 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.168 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 74.73 -158.54 51.48 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -176.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.15 179.005 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -71.54 107.72 4.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.926 0.393 . . . . 0.0 111.708 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.609 HE22 HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -144.06 114.26 7.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.199 0.523 . . . . 0.0 110.587 172.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -67.17 116.52 8.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.092 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 36.0 mmtm -97.5 123.56 41.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.045 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.27 100.45 5.1 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.6 mm -85.75 -82.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.467 0.651 . . . . 0.0 110.906 -174.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 81.8 m -146.64 -165.27 2.19 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 6.3 mtpm? -100.14 159.19 15.3 Favored 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.925 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.9 tt -72.27 -10.3 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.73 0.776 . . . . 0.0 109.578 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.79 -19.87 61.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.965 175.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -81.94 -18.08 44.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.929 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 mt -113.61 125.95 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.984 0.421 . . . . 0.0 110.681 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 88.5 mt -89.04 165.9 24.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.664 -177.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 19.9 Cg_endo -61.43 132.88 43.01 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.218 1.945 . . . . 0.0 111.638 174.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' OE1' ' HB2' ' A' ' 15' ' ' PRO . 2.7 mp0 60.71 42.45 13.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.809 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -135.08 157.51 46.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.678 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.46 143.82 15.6 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.174 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -123.59 169.8 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.506 0.193 . . . . 0.0 110.59 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.1 m -109.03 129.23 55.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.656 0.265 . . . . 0.0 110.49 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.46 155.22 47.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.731 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.16 112.11 23.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.984 0.421 . . . . 0.0 110.886 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.609 HD21 HE22 ' A' ' 3' ' ' GLN . 10.1 tt -106.98 96.99 6.83 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.09 -100.41 0.64 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.348 -0.929 . . . . 0.0 110.816 -173.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -122.99 6.97 9.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 171.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.741 ' HG3' ' HA2' ' A' ' 109' ' ' GLY . 42.3 mm-40 -84.8 115.03 22.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.199 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -80.07 102.42 9.3 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 106' ' ' LEU . 42.1 t -106.33 137.35 37.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.079 -172.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . . . -104.33 112.68 25.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.681 175.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.447 HD11 HD11 ' A' ' 106' ' ' LEU . 43.0 mt -90.76 107.69 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.73 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.23 129.62 48.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -104.25 99.86 19.12 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 167.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 38' ' ' GLN . 75.5 Cg_endo -89.74 -29.81 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.84 2.36 . . . . 0.0 112.946 -176.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -99.77 155.97 17.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -72.82 -16.31 61.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.309 0.576 . . . . 0.0 110.145 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -90.11 -153.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.169 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -85.97 0.74 52.48 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.618 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.454 ' O ' ' HD2' ' A' ' 33' ' ' PRO . 9.2 tt0 -78.48 102.97 8.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.484 -175.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -119.08 156.67 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.52 135.55 40.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.077 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.86 131.93 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.819 0.342 . . . . 0.0 110.83 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.7 pt -138.31 178.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.678 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -67.9 132.2 46.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.63 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 28.5 p-10 -81.23 -17.4 49.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.948 -176.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 51' ' ' SER . 71.4 mt -111.61 117.29 54.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.001 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.75 ' HB3' ' HZ ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -70.57 133.76 86.73 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.467 175.683 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 16.6 Cg_exo -67.93 -49.85 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.437 2.758 . . . . 0.0 114.453 -169.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -91.59 -39.72 11.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.146 0.498 . . . . 0.0 110.353 -173.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.679 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 7.5 t80 -74.46 -29.42 61.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.313 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 59.59 59.88 2.43 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 173.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 3.9 m -102.9 161.91 13.36 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 168.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 p -93.29 -48.81 6.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.55 124.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 61.5 mt -92.31 -19.51 22.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.85 170.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 m -64.22 -27.16 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.093 -174.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.33 40.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.832 0.349 . . . . 0.0 110.749 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.67 164.58 24.65 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.6 pt? -91.33 151.9 20.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.978 0.418 . . . . 0.0 110.887 -175.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -106.51 120.66 58.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.46 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -123.65 152.48 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.839 0.352 . . . . 0.0 111.211 -176.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -85.1 126.06 33.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.891 177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -85.39 -76.19 0.33 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.273 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -132.15 11.84 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.436 0.636 . . . . 0.0 109.386 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.21 -30.43 1.75 Allowed Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.873 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.05 149.01 21.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 33' ' ' PRO . 97.8 mt -93.53 122.87 36.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.158 0.504 . . . . 0.0 111.121 -177.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -111.97 132.77 54.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.978 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.51 137.29 24.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -129.37 117.99 21.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.491 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 17.1 m -82.49 138.4 44.59 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.946 177.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.3 Cg_exo -72.82 21.86 0.31 Allowed 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.609 2.873 . . . . 0.0 113.456 -175.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.44 -84.17 0.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.711 0.291 . . . . 0.0 110.226 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -112.31 26.76 10.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.749 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt 63.73 30.33 14.71 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.741 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 69' ' ' ALA . 4.2 pt20 -63.49 142.21 58.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.092 -178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -123.5 121.44 35.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.558 -172.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.75 ' HZ ' ' HB3' ' A' ' 46' ' ' ASP . 42.4 m-85 -123.34 131.9 53.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 111.181 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -88.46 104.69 17.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.075 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.18 -22.88 66.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.301 -174.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -58.43 -49.03 78.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.558 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -126.82 -8.52 6.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.482 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.78 12.22 53.55 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.992 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -75.21 136.01 41.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.665 -0.315 . . . . 0.0 110.733 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 87' ' ' ASP . 51.9 t -97.09 153.76 17.75 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -44.03 16.24 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -77.41 -46.38 22.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.554 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 5.1 m-20 -87.19 9.97 18.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.357 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -34.04 -47.34 0.27 Allowed 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -166.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -61.78 -31.46 71.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.231 0.469 . . . . 0.0 111.853 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -104.15 -58.08 1.94 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.18 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.9 m 62.87 -172.78 0.16 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.576 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.95 167.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.104 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 93' ' ' LYS . 33.1 mmtm -83.37 130.9 35.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.188 0.518 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -84.94 112.48 20.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.518 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.536 ' CD1' ' HA3' ' A' ' 108' ' ' GLY . 31.1 m-85 -98.95 138.62 35.8 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -79.78 115.72 19.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.278 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.05 131.44 55.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.129 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -131.82 159.59 38.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.546 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.7 t -106.76 97.15 5.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.796 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -95.63 106.04 18.1 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.286 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.8 t70 66.46 3.38 2.82 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.41 0.624 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.03 4.39 25.89 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.907 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 67.2 t -104.84 137.72 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.5 t -82.37 116.21 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 63.9 mt-30 -114.7 132.76 56.3 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.504 175.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.483 HD13 HG11 ' A' ' 28' ' ' VAL . 93.9 mt -108.87 136.94 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.322 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -122.58 113.89 19.89 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 172.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.536 ' HA3' ' CD1' ' A' ' 95' ' ' TYR . . . -179.41 -158.83 22.4 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.071 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.741 ' HA2' ' HG3' ' A' ' 26' ' ' GLU . . . 101.0 175.02 29.14 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.4 m . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.7 -0.667 . . . . 0.0 109.951 177.352 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.64 0.257 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.509 ' HB3' ' HD3' ' A' ' 107' ' ' ARG . 15.0 m -131.59 82.13 2.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.943 0.402 . . . . 0.0 110.252 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -78.4 84.6 4.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.003 0.43 . . . . 0.0 110.001 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 98.7 m95 -69.52 101.97 1.72 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.443 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -83.27 110.56 18.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.702 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.83 ' HB3' HE21 ' A' ' 105' ' ' GLN . 7.9 p-10 -75.7 123.85 26.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.214 0.53 . . . . 0.0 110.044 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 mm -93.59 -78.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.349 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.4 m -142.53 -168.44 2.74 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 63.5 mttp -88.93 157.84 18.27 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.562 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 tp -70.26 -11.74 15.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.6 0.714 . . . . 0.0 109.804 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -74.93 -28.6 60.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.9 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.34 -34.81 78.81 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.219 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.486 HD12 HG21 ' A' ' 104' ' ' VAL . 22.6 mt -104.03 92.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.133 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.843 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -70.98 167.13 31.41 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.35 178.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 73.9 Cg_exo -52.06 141.5 47.36 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.571 2.181 . . . . 0.0 112.873 178.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE2' ' HE1' ' A' ' 35' ' ' HIS . 1.4 mp0 54.51 46.71 24.32 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.538 -178.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.65 ' OG1' ' HG ' ' A' ' 14' ' ' LEU . 33.7 m -132.14 136.63 47.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.045 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 30' ' ' ILE . . . -121.45 126.83 6.67 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.69 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 m -116.76 152.05 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.975 0.416 . . . . 0.0 110.942 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 p -94.74 120.32 34.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.82 167.78 17.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.97 138.2 52.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.22 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 tt -125.42 95.04 4.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.4 -89.01 0.61 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.622 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -128.03 -8.87 5.41 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 149.9 21.72 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.123 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.45 107.11 19.24 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.511 HG11 HD13 ' A' ' 106' ' ' LEU . 38.6 t -108.82 128.68 64.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.058 0.456 . . . . 0.0 111.107 -172.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -96.32 121.14 37.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.626 176.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.447 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 28.5 mt -100.82 120.15 49.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 81.2 m-85 -121.12 120.55 35.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.832 -174.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -97.71 99.9 7.45 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 66.1 Cg_endo -90.87 1.92 4.82 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.201 2.601 . . . . 0.0 113.487 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -133.58 177.08 7.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.957 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.5 ' HE1' ' OE2' ' A' ' 16' ' ' GLU . 3.3 m-70 -89.82 -8.04 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.6 p -88.66 -159.62 0.58 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.36 -176.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -90.81 8.29 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.136 -176.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -84.04 118.89 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.971 -177.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.71 145.41 35.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.417 ' CD2' ' HG3' ' A' ' 33' ' ' PRO . 34.3 m-85 -121.01 153.19 37.67 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 95' ' ' TYR . . . -131.12 135.66 47.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.606 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.6 pt -140.17 178.08 3.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.122 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.9 m -59.98 128.0 34.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.471 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 55.7 t30 -83.1 -31.23 27.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.305 -0.407 . . . . 0.0 112.032 -173.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.574 HG23 ' O ' ' A' ' 51' ' ' SER . 36.8 mm -93.55 139.3 18.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' HB2' ' H ' ' A' ' 51' ' ' SER . 9.9 m-20 -57.14 105.83 0.59 Allowed Pre-proline 0 N--CA 1.468 0.459 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 172.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 35.1 Cg_exo -57.34 -65.28 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 123.254 2.636 . . . . 0.0 113.552 -166.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -88.94 -10.74 46.64 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.856 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 5.8 t80 -94.17 -18.64 21.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.097 -176.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 67.68 35.32 4.08 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.817 0.447 . . . . 0.0 111.929 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 45' ' ' ILE . 67.6 m -102.4 -165.78 1.22 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.955 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -92.44 -151.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.165 0.507 . . . . 0.0 111.834 -171.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 m -76.16 135.29 27.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.518 -172.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 58.2 mt -74.92 -10.35 59.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.396 176.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 m -66.75 -14.37 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.765 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 51.8 ttm-85 -97.39 40.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.578 0.704 . . . . 0.0 109.31 175.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.84 164.66 24.7 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.843 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.758 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.5 pt? -99.85 151.7 20.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.823 0.344 . . . . 0.0 111.033 -175.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.6 mt -104.43 121.05 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.754 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -125.51 139.21 53.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.163 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -86.9 129.19 34.98 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.008 0.432 . . . . 0.0 110.693 -177.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -77.64 -56.34 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 5.9 tp60 176.31 86.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.78 -32.02 3.52 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.527 -172.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.85 139.1 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.347 0.259 . . . . 0.0 110.351 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.46 HD13 ' HB2' ' A' ' 33' ' ' PRO . 65.4 mt -105.71 114.77 29.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.899 0.38 . . . . 0.0 110.463 178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.411 ' CZ3' ' HB2' ' A' ' 85' ' ' MET . 44.5 m95 -110.39 144.07 39.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.421 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.33 143.18 22.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.26 128.49 41.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.799 0.333 . . . . 0.0 111.518 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 p -82.83 119.64 74.81 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.794 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.65 2.35 2.52 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.93 2.42 . . . . 0.0 113.01 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 51' ' ' SER . 6.6 mp -77.29 -30.27 54.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.205 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 62.3 tttp -136.75 -16.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.646 175.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 67.82 42.37 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.013 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -87.25 142.68 27.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.367 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -99.49 121.54 41.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.979 0.418 . . . . 0.0 111.749 -174.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.42 ' HD2' ' HG ' ' A' ' 84' ' ' CYS . 18.2 m-85 -115.05 123.42 48.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.466 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.404 HH21 ' CG ' ' A' ' 81' ' ' ASP . 46.1 ttp180 -87.49 100.62 12.9 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.08 -11.11 46.47 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.25 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -64.56 -48.68 74.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 19.0 p-10 -118.66 -28.73 5.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.338 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 91' ' ' SER . . . 108.71 13.6 18.05 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.426 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.0 tp -83.77 137.6 33.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.991 0.424 . . . . 0.0 111.287 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 38.6 m -102.36 133.66 46.92 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 172.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 67' ' ' TRP . 23.1 ttt -71.94 -30.3 65.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.947 0.403 . . . . 0.0 111.234 -175.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -92.58 -32.3 14.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.345 0.593 . . . . 0.0 110.749 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 84' ' ' CYS . 20.1 t70 -106.74 10.44 30.87 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.567 -169.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -36.9 -32.77 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -171.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.24 -35.42 73.65 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.221 0.464 . . . . 0.0 111.162 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -111.46 -61.26 1.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.681 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.661 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 47.2 m 63.24 -169.12 0.19 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.731 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.0 m -106.75 163.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -92.46 139.69 30.33 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.406 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 36.8 t-80 -87.42 134.07 33.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.994 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.475 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 63.3 m-85 -118.51 145.0 45.65 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 175.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.52 142.88 27.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.887 0.375 . . . . 0.0 110.816 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.03 151.18 51.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -144.17 156.73 44.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.7 t -105.45 102.06 13.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -93.54 106.92 18.84 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 p30 47.79 24.98 0.64 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.02 0.928 . . . . 0.0 112.595 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.26 -9.02 26.81 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.994 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 11.7 t -101.18 132.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.941 0.37 . . . . 0.0 110.774 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.486 HG21 HD12 ' A' ' 13' ' ' ILE . 22.2 t -80.0 121.37 33.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.42 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.83 HE21 ' HB3' ' A' ' 6' ' ' ASP . 74.2 mt-30 -120.18 136.53 54.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.732 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.511 HD13 HG11 ' A' ' 28' ' ' VAL . 81.5 mt -112.67 137.68 50.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.305 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.509 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 60.4 ttp85 -115.39 106.16 13.67 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -154.24 -172.49 22.23 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.176 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.55 -155.17 26.02 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.254 1.328 0 CA-C-O 118.751 -0.643 . . . . 0.0 109.9 179.281 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 121.087 0.47 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.627 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 0.3 OUTLIER -148.94 102.83 3.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.534 174.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.577 ' NE2' ' HA ' ' A' ' 110' ' ' SER . 6.3 tt0 -115.33 101.13 8.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.95 177.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.592 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 96.1 m95 -75.48 83.68 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 171.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -78.97 134.56 36.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.545 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -73.25 140.25 46.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.407 HG22 ' SG ' ' A' ' 8' ' ' CYS . 35.0 mm -113.38 -71.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.19 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' SG ' HG22 ' A' ' 7' ' ' ILE . 62.5 m -144.4 173.64 11.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.724 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -90.04 136.95 32.73 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 HD12 HG21 ' A' ' 99' ' ' VAL . 15.6 tt -65.92 -16.14 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.031 0.444 . . . . 0.0 111.324 -174.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -25.26 64.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.471 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -82.29 -33.53 29.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.115 0.483 . . . . 0.0 110.949 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.1 mt -85.55 105.77 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.71 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.41 165.78 47.95 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.717 ' HG3' ' HB3' ' A' ' 35' ' ' HIS . 44.9 Cg_exo -56.01 136.27 74.03 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.497 2.132 . . . . 0.0 112.279 176.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 63.5 43.58 5.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.526 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.6 m -129.94 140.59 50.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.297 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.09 143.71 15.8 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.991 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 m -124.37 160.11 29.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.781 0.324 . . . . 0.0 110.66 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -105.96 130.91 53.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.235 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.32 163.8 30.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 0.0 110.893 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 tt -117.97 121.96 42.01 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.84 93.08 4.32 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.63 -82.67 0.48 Allowed Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.908 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.3 -20.8 6.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.106 0.479 . . . . 0.0 111.254 -175.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 26' ' ' GLU . 2.4 pt-20 -116.93 151.23 37.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.142 -170.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.434 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . 16.0 mm-40 -84.94 127.27 34.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.874 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.507 HG11 HD13 ' A' ' 106' ' ' LEU . 22.5 t -123.82 130.28 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.934 0.397 . . . . 0.0 110.702 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 41' ' ' ALA . . . -102.27 124.63 48.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.076 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.51 HD11 HD11 ' A' ' 106' ' ' LEU . 51.0 mt -106.31 119.18 55.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 84.9 m-85 -113.47 128.13 56.34 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.336 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -105.56 100.06 24.58 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 171.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 31' ' ' PHE . 55.7 Cg_endo -91.07 -24.88 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.954 2.436 . . . . 0.0 112.533 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -107.48 127.8 53.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.911 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.717 ' HB3' ' HG3' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -77.55 25.44 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 177.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.7 m -104.55 -96.6 0.32 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.076 173.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -148.22 18.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.186 0.517 . . . . 0.0 110.824 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -105.25 116.44 31.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.529 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.94 151.65 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.791 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.59 148.17 44.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.451 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -134.81 129.24 34.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.809 0.338 . . . . 0.0 110.67 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.4 pt -136.24 -177.47 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.894 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.523 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 13.9 m -62.48 127.59 32.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 10.5 t30 -76.16 -28.68 57.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 51' ' ' SER . 38.8 mm -96.13 134.12 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.58 -176.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.627 ' OD1' ' HB2' ' A' ' 51' ' ' SER . 2.7 m-20 -58.54 122.27 59.31 Favored Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 171.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.86 -73.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.77 2.313 . . . . 0.0 113.366 -175.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.72 -25.64 18.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.625 0.25 . . . . 0.0 111.558 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HB3' ' HB3' ' A' ' 46' ' ' ASP . 64.1 t80 -75.53 -28.38 59.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.396 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 61.62 95.19 0.04 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.435 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.627 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 75.0 m -148.97 173.8 12.96 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.447 ' O ' HD13 ' A' ' 45' ' ' ILE . 5.8 p -90.28 -51.47 5.42 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -170.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -128.96 124.46 60.99 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -171.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -92.31 -7.72 47.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.224 171.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.53 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 3.3 p -82.53 1.31 38.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.509 -174.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 mtp-105 -109.39 40.94 1.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.392 . . . . 0.0 110.828 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.69 164.66 24.66 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.727 HD23 ' H ' ' A' ' 58' ' ' LEU . 1.6 pt? -90.88 140.75 29.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.98 0.419 . . . . 0.0 111.364 -174.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 52.7 mt -96.5 125.74 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.753 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.25 152.7 51.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.966 0.412 . . . . 0.0 111.299 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 64' ' ' GLY . 0.2 OUTLIER -99.4 144.74 28.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 176.564 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -145.02 -19.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -169.99 28.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.923 0.392 . . . . 0.0 112.025 -173.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.453 ' H ' ' CD ' ' A' ' 61' ' ' GLU . . . 89.39 13.51 61.5 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -176.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -134.17 142.56 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.828 0.347 . . . . 0.0 110.366 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.24 102.73 15.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.616 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -99.76 122.52 42.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.359 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.479 ' HB ' HD23 ' A' ' 79' ' ' LEU . 7.6 p -100.12 130.43 49.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -117.16 112.46 20.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.973 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.614 ' HB3' HD13 ' A' ' 72' ' ' LEU . 18.5 m -78.8 125.53 83.98 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.775 175.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 8.3 Cg_exo -73.43 10.16 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.245 2.63 . . . . 0.0 113.367 -174.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 70' ' ' SER . 7.6 mp -65.47 -63.84 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 110.382 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -136.31 22.59 3.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.683 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.0 tttt 62.61 77.61 0.32 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.586 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.81 ' HG3' ' HE1' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -115.0 131.55 56.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.112 179.301 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -103.45 115.68 30.99 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.988 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.81 ' HE1' ' HG3' ' A' ' 75' ' ' GLN . 97.3 m-85 -118.21 133.16 56.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.259 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -91.51 92.1 8.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.479 HD23 ' HB ' ' A' ' 68' ' ' VAL . 3.3 pp -72.3 -12.57 61.2 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -172.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 p -74.87 -1.35 21.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.105 0.479 . . . . 0.0 110.859 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -149.79 -45.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.051 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.24 -17.79 8.45 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.923 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.1 tp -57.62 128.38 36.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.217 0.532 . . . . 0.0 111.274 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.1 m -103.95 124.61 49.3 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.6 ttt -67.06 -20.72 65.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.733 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -83.15 -46.88 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.23 0.538 . . . . 0.0 110.923 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -103.28 10.36 37.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.951 -170.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -34.02 -37.3 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.338 1.606 . . . . 0.0 115.338 -170.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.81 -25.08 62.82 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.982 0.42 . . . . 0.0 111.544 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -124.44 -57.36 1.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.928 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.2 m 65.49 177.05 0.21 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.013 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.523 ' HB ' ' HB2' ' A' ' 43' ' ' SER . 34.5 m -91.36 167.31 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.072 176.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -92.59 127.16 37.99 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.982 0.42 . . . . 0.0 110.619 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -90.5 150.49 21.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.722 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -113.49 169.06 9.24 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -101.45 135.48 42.88 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -136.31 145.51 45.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.979 0.418 . . . . 0.0 111.846 -174.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.592 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 11.0 ptm180 -151.15 145.44 25.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.951 174.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.458 HG21 HD12 ' A' ' 10' ' ' ILE . 52.1 t -86.32 103.21 12.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.365 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.632 ' HB2' ' HG3' ' A' ' 105' ' ' GLN . 1.7 ttpm? -91.41 108.12 19.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.478 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 p30 52.7 18.78 1.08 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.829 0.851 . . . . 0.0 112.75 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.84 -8.94 27.66 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.661 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.3 t -101.85 134.94 40.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.6 118.54 20.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.479 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.632 ' HG3' ' HB2' ' A' ' 100' ' ' LYS . 6.2 mm100 -110.24 133.62 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 30' ' ' ILE . 72.7 mt -117.44 134.81 54.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.693 0.282 . . . . 0.0 110.868 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.627 ' HE ' ' HB3' ' A' ' 2' ' ' SER . 34.9 ttt180 -111.11 120.95 44.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.985 174.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -150.3 -83.09 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -108.96 -136.36 7.66 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.724 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.577 ' HA ' ' NE2' ' A' ' 3' ' ' GLN . 53.9 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.916 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 121.56 0.695 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.902 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 2.4 m -146.39 63.63 1.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.562 ' O ' ' HA ' ' A' ' 107' ' ' ARG . 20.3 mp0 -58.38 108.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.893 -171.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.509 ' CZ3' ' HG2' ' A' ' 98' ' ' ARG . 95.5 m95 -84.82 85.76 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 169.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -71.56 108.99 5.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.207 -178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.07 121.02 14.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.641 174.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.8 mm -96.76 -70.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.088 -175.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -154.22 -161.92 1.32 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HE2' ' OD1' ' A' ' 11' ' ' ASP . 47.9 mtpt -104.28 164.15 11.93 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.667 -176.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -73.28 -10.05 13.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.844 0.831 . . . . 0.0 108.969 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.494 ' OD1' ' HE2' ' A' ' 9' ' ' LYS . 2.5 m-20 -74.18 -36.26 64.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.528 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.51 -4.26 55.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.112 0.482 . . . . 0.0 110.637 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.595 HD12 HG21 ' A' ' 104' ' ' VAL . 35.6 mt -105.49 91.71 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.307 0.575 . . . . 0.0 109.55 173.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.98 146.04 97.49 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.35 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 46.4 Cg_exo -57.1 129.82 36.38 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.524 2.149 . . . . 0.0 112.036 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 15' ' ' PRO . 92.3 mt-10 75.54 32.81 0.69 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.041 0.838 . . . . 0.0 110.74 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -133.37 154.82 50.42 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.494 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.83 144.38 18.16 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.44 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.409 HG11 HG12 ' A' ' 13' ' ' ILE . 35.9 m -120.01 150.01 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.117 0.484 . . . . 0.0 111.248 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -88.16 115.0 25.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.002 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.81 166.75 15.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.826 0.346 . . . . 0.0 110.573 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 27' ' ' GLN . 96.8 mt -131.06 122.3 26.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.485 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.31 91.98 8.97 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 171.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.58 -90.57 0.75 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 -169.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.21 -10.04 5.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.67 0.271 . . . . 0.0 110.4 172.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -76.71 126.2 30.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 110.543 -176.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.72 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . 23.3 mp0 -69.13 116.48 9.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.249 -176.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.479 HG11 HD13 ' A' ' 106' ' ' LEU . 59.6 t -118.97 130.86 73.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.089 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' HB2' ' HA ' ' A' ' 44' ' ' ASN . . . -99.37 111.68 24.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.214 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.521 HD11 HD11 ' A' ' 106' ' ' LEU . 60.3 mt -95.31 109.7 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.001 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 98.6 m-85 -104.25 125.6 50.65 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -108.45 99.77 34.57 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 168.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HB2' HD13 ' A' ' 66' ' ' LEU . 72.8 Cg_endo -92.89 -24.0 0.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.538 2.159 . . . . 0.0 112.689 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -99.35 159.87 14.69 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.051 0.453 . . . . 0.0 110.544 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -90.28 3.43 53.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.953 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -95.09 -173.84 3.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.949 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -86.15 69.81 10.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.624 0.25 . . . . 0.0 110.68 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -148.0 135.95 21.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.713 0.292 . . . . 0.0 110.585 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.0 m -138.13 153.68 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.344 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -120.58 129.88 53.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.873 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.55 119.62 35.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.16 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' LYS . 39.4 pt -130.78 -178.77 2.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.264 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 m -62.4 130.06 43.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.72 ' HB3' ' HB3' ' A' ' 27' ' ' GLN . 63.4 t30 -83.85 -18.7 36.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 111.142 -175.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.3 mm -116.24 140.89 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' HB3' ' H ' ' A' ' 51' ' ' SER . 8.8 t70 -68.8 122.51 85.2 Favored Pre-proline 0 N--CA 1.469 0.494 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 174.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.27 -55.94 0.84 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.99 2.46 . . . . 0.0 114.367 -172.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -91.3 -37.63 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.798 0.332 . . . . 0.0 111.823 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -79.34 -22.98 43.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.775 0.321 . . . . 0.0 110.333 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 50' ' ' GLU . 5.6 mm-40 62.53 72.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.783 0.801 . . . . 0.0 110.798 -178.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.425 ' H ' ' HB3' ' A' ' 46' ' ' ASP . 10.6 t -102.49 -165.85 1.22 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 174.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -106.3 -154.76 0.53 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 44' ' ' ASN . 34.3 m -68.33 124.56 24.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.896 0.855 . . . . 0.0 111.049 -174.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.1 mt -84.38 -16.1 44.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.208 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.574 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 5.2 p -68.27 -13.64 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.045 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -98.5 40.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.671 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.63 164.81 24.63 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.107 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.812 HD23 ' H ' ' A' ' 58' ' ' LEU . 1.9 pt? -86.76 137.09 32.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.962 0.41 . . . . 0.0 111.042 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.2 mt -97.83 119.44 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.887 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.33 141.16 43.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.912 0.387 . . . . 0.0 110.694 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HG2' ' H ' ' A' ' 63' ' ' GLN . 42.0 tt0 -87.63 118.25 26.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.896 177.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -94.62 36.24 1.18 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.543 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 22.6 tp60 64.54 83.29 0.17 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.659 -177.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.36 -65.73 0.26 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.759 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -90.94 145.73 24.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.897 0.38 . . . . 0.0 110.495 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 33' ' ' PRO . 78.5 mt -106.66 125.2 50.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.658 -177.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -116.68 131.65 56.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.941 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.61 133.36 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 75' ' ' GLN . . . -115.44 130.85 57.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.682 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB3' ' O ' ' A' ' 73' ' ' LYS . 33.3 t -82.32 137.07 45.68 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.119 179.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HD2' HD12 ' A' ' 72' ' ' LEU . 5.3 Cg_exo -76.46 -19.22 15.1 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.922 2.415 . . . . 0.0 112.07 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.433 HD12 ' HD2' ' A' ' 71' ' ' PRO . 5.3 mp -78.62 -64.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 70' ' ' SER . 57.0 tptt -114.08 144.56 42.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 174.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -76.03 61.25 1.51 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.905 0.859 . . . . 0.0 110.995 -174.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.514 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -92.29 145.79 24.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.065 178.404 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.55 121.85 23.9 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 75' ' ' GLN . 33.5 m-85 -119.0 134.78 54.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 -177.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -84.66 113.88 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.5 -25.38 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.05 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m -57.71 -48.69 78.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.095 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -125.53 -19.57 4.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.74 15.24 37.61 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.221 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.6 tp -72.98 134.63 44.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.782 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 59.1 m -88.68 138.94 30.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.8 ttt -58.24 -70.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -92.85 -19.25 21.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.471 0.653 . . . . 0.0 110.838 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.49 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . 2.7 m-20 -94.12 10.62 33.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.373 -175.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -34.04 -39.93 0.08 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -59.34 -28.5 66.89 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 111.638 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -119.16 41.63 3.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.448 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.782 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 68.1 m -60.91 163.8 5.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.116 0.484 . . . . 0.0 111.711 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.6 m -90.9 172.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.398 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 88.2 tttt -93.2 135.23 34.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 -176.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -95.34 119.38 33.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.055 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -95.37 146.53 24.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 17.6 mm-40 -80.71 107.26 13.37 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -177.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.04 142.82 46.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.578 -173.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.509 ' HG2' ' CZ3' ' A' ' 4' ' ' TRP . 9.9 ptm180 -150.63 162.03 41.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.03 175.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.14 115.69 38.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -114.94 113.33 24.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.383 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 64.76 12.59 7.78 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.412 0.445 . . . . 0.0 110.887 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.72 5.49 57.62 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.047 -174.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 46.8 t -112.22 135.21 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.595 HG21 HD12 ' A' ' 13' ' ' ILE . 24.9 t -78.02 120.64 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.787 0.327 . . . . 0.0 111.201 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -108.7 133.4 52.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.182 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 30' ' ' ILE . 68.3 mt -117.02 113.92 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.955 0.159 . . . . 0.0 110.83 176.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.902 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 36.7 ttp85 -96.69 109.47 22.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.963 0.411 . . . . 0.0 109.978 174.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -136.81 -70.1 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.072 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.58 105.28 0.23 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.058 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.256 -179.552 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' N ' ' A' ' 2' ' ' SER . 7.5 tmm? . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.738 ' HB3' ' HD2' ' A' ' 107' ' ' ARG . 67.3 m -61.56 98.64 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.958 0.409 . . . . 0.0 110.745 175.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -103.25 99.04 8.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.442 0.639 . . . . 0.0 110.644 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.482 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 67.3 m95 -63.85 109.95 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.674 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 105' ' ' GLN . 78.6 tttt -82.2 128.15 33.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.81 120.87 23.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.331 0.586 . . . . 0.0 109.481 175.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -86.13 -67.33 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.077 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 t -157.95 171.31 20.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.545 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -76.79 143.58 39.74 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.529 HD12 HG21 ' A' ' 99' ' ' VAL . 14.2 tt -69.7 -7.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.36 0.6 . . . . 0.0 110.511 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.72 -19.81 61.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.607 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.12 -18.2 32.95 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.319 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mt -109.56 106.46 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.356 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 92.7 mt -73.39 167.86 30.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.565 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 48.2 Cg_endo -68.85 147.92 69.75 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 121.887 1.725 . . . . 0.0 111.717 175.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 63.45 30.62 15.3 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.952 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.5 p -132.4 163.96 27.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 31' ' ' PHE . . . -136.62 143.46 14.84 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.017 178.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.23 177.69 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.006 0.431 . . . . 0.0 111.166 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.89 134.86 55.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.189 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.11 174.03 11.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.059 0.456 . . . . 0.0 111.164 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.51 125.99 42.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.488 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD12 ' HB2' ' A' ' 106' ' ' LEU . 8.8 tt -120.24 103.4 9.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.2 -105.53 1.52 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.777 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.59 -12.23 13.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -93.74 132.89 37.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.587 -174.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.454 ' HB3' HD21 ' A' ' 44' ' ' ASN . 51.1 mt-30 -81.18 140.45 34.96 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 106' ' ' LEU . 42.6 t -133.04 148.49 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 111.182 -174.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.689 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . . . -112.18 123.05 49.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.402 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.49 HD11 HD11 ' A' ' 106' ' ' LEU . 62.4 mt -106.59 119.88 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.114 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.455 ' CD1' ' HA3' ' A' ' 18' ' ' GLY . 97.6 m-85 -115.64 133.86 55.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.72 0.295 . . . . 0.0 110.808 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -108.76 99.79 36.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HB2' HD13 ' A' ' 66' ' ' LEU . 67.5 Cg_endo -98.24 7.15 1.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.348 2.699 . . . . 0.0 113.109 -177.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -123.98 164.14 19.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.965 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -84.67 -17.94 36.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 p -77.43 -165.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.469 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.54 30.98 3.01 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.086 0.47 . . . . 0.0 110.238 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -96.45 118.31 32.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.719 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.56 157.45 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.21 177.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -133.4 149.99 51.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 29' ' ' ALA . . . -127.93 131.14 49.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.104 0.478 . . . . 0.0 111.584 -176.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.9 pt -130.76 179.16 4.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.851 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.9 m -69.35 118.12 11.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.689 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 31.8 p-10 -76.72 -30.69 56.76 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.7 mm -101.29 108.39 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.579 ' O ' ' HA ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -74.61 142.9 78.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.453 -175.077 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 87.2 Cg_endo -96.24 1.12 2.07 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.786 2.324 . . . . 0.0 114.088 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -91.49 -59.44 2.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.276 0.56 . . . . 0.0 110.131 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -94.3 -28.61 15.48 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 43.4 mt-10 68.34 69.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.036 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.8 p -105.59 -165.63 1.13 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.179 173.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.461 ' HB2' ' H ' ' A' ' 53' ' ' VAL . 1.8 p -92.59 -153.63 0.35 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.812 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.485 HG12 ' ND2' ' A' ' 44' ' ' ASN . 35.9 m -68.18 124.59 24.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.905 0.86 . . . . 0.0 112.002 -171.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 44' ' ' ASN . 40.0 mt -75.88 -1.49 25.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.092 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -65.35 -15.24 62.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.15 0.5 . . . . 0.0 111.081 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -90.92 41.03 1.04 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.417 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.42 159.38 23.82 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.966 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.3 134.72 37.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.854 0.359 . . . . 0.0 111.277 -170.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -82.95 122.35 37.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.529 174.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.14 142.37 50.23 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.827 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -84.08 120.02 25.65 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -131.23 115.12 15.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.852 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 62.28 28.72 17.12 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.531 0.681 . . . . 0.0 110.828 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.88 -0.24 79.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.632 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -109.1 156.04 20.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.766 0.317 . . . . 0.0 110.2 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 33' ' ' PRO . 79.4 mt -97.69 104.26 16.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.978 0.418 . . . . 0.0 110.06 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -107.36 149.94 27.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.232 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ARG . 7.9 p -109.03 127.81 65.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 172.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -110.5 109.32 19.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.817 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.57 ' HB3' HD13 ' A' ' 72' ' ' LEU . 14.2 m -86.51 115.38 61.99 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.77 3.56 2.71 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.125 2.55 . . . . 0.0 112.986 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' ' 70' ' ' SER . 7.3 mp -61.34 -57.73 11.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.862 176.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 25.0 mmtp -141.91 28.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 64.18 32.44 12.54 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.999 174.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -86.25 133.03 33.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.976 0.417 . . . . 0.0 110.241 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.645 ' HD2' ' SD ' ' A' ' 85' ' ' MET . 34.8 mtt85 -118.89 129.59 55.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.348 -174.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' A' ' 54' ' ' LEU . 31.6 m-85 -126.33 136.97 53.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.426 -176.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -83.59 113.91 21.16 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.5 mt -58.54 -29.31 66.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 t -60.52 -58.0 10.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.654 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -114.52 -12.95 12.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.01 15.11 58.24 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.073 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 88' ' ' GLU . 10.1 tp -67.97 131.66 45.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.706 0.288 . . . . 0.0 110.521 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.806 ' SG ' ' HA ' ' A' ' 91' ' ' SER . 77.0 m -84.51 138.43 32.78 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.645 ' SD ' ' HD2' ' A' ' 76' ' ' ARG . 25.2 ttt -59.62 -56.41 22.31 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -176.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -92.53 -20.03 21.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.499 0.666 . . . . 0.0 110.867 -175.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 84' ' ' CYS . 38.6 m-20 -106.79 10.5 30.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.204 -171.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.411 ' HB2' HD11 ' A' ' 83' ' ' LEU . 10.8 pt-20 -34.39 -38.65 0.07 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.442 ' HG3' ' CD2' ' A' ' 90' ' ' PHE . 22.3 pt20 -60.58 -27.63 67.85 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 89' ' ' GLN . 92.3 m-85 -106.98 -61.76 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.217 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.806 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 65.6 m 63.59 -172.37 0.17 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.464 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.0 m -109.67 176.4 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.358 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -88.96 112.75 23.71 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.13 134.31 34.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.204 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.55 144.18 34.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 107' ' ' ARG . 23.1 tt0 -82.67 125.41 31.19 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -175.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.75 139.8 46.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.86 0.362 . . . . 0.0 111.311 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.415 ' NH2' ' HD2' ' A' ' 100' ' ' LYS . 12.0 ttp180 -144.57 137.15 26.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.148 178.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.529 HG21 HD12 ' A' ' 10' ' ' ILE . 95.7 t -97.97 104.76 16.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.452 0.644 . . . . 0.0 110.262 177.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' HD2' ' NH2' ' A' ' 98' ' ' ARG . 75.4 tttt -96.64 106.89 19.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.809 -177.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.7 t70 60.59 20.26 10.14 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.754 0.788 . . . . 0.0 110.427 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.01 2.73 51.89 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.648 -178.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.9 t -108.33 128.88 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.113 0.457 . . . . 0.0 110.095 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.18 116.89 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.492 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . 15.3 mt-30 -113.93 146.38 40.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.49 HD11 HD11 ' A' ' 30' ' ' ILE . 82.2 mt -122.69 135.08 54.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.631 179.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.738 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 17.3 ttp85 -107.26 116.81 32.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.313 176.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -142.92 -149.56 5.15 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.364 176.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 83.25 7.21 87.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.238 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.248 0.986 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.317 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.771 0.319 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.402 ' HB2' ' CD1' ' A' ' 4' ' ' TRP . 13.4 p 47.69 82.76 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -77.91 93.53 4.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.186 171.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.402 ' CD1' ' HB2' ' A' ' 2' ' ' SER . 90.8 m95 -91.75 119.25 31.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.196 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -97.22 119.65 36.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.692 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.467 ' CG ' HE21 ' A' ' 105' ' ' GLN . 7.1 m-20 -69.21 103.32 1.9 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.755 174.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -74.48 -77.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.549 0.69 . . . . 0.0 110.681 -177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.9 m -151.84 177.38 10.48 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 9' ' ' LYS . 47.1 mtmt -80.09 147.18 31.53 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.272 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 99' ' ' VAL . 19.5 tt -67.12 -13.76 17.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.62 0.724 . . . . 0.0 109.928 178.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.04 -18.05 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.724 174.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -86.68 -7.68 58.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.434 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.4 mt -114.17 134.85 55.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.295 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 90.9 mt -97.78 169.11 8.96 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.583 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 38.7 Cg_exo -58.58 130.13 35.75 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.301 2.001 . . . . 0.0 112.363 175.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 57.17 53.01 8.23 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.743 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.9 p -135.92 174.98 10.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.709 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.542 ' O ' ' HB3' ' A' ' 55' ' ' SER . . . -141.12 137.19 7.99 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -118.64 177.83 2.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.661 0.267 . . . . 0.0 110.821 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.2 p -121.66 127.34 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.725 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.65 170.53 10.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.493 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 mt -112.11 121.33 44.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.866 0.365 . . . . 0.0 110.584 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 tt -124.18 111.68 16.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.05 -96.19 0.77 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.595 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -129.6 -5.82 4.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -114.72 164.77 13.59 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.922 -175.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -86.84 134.35 33.55 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.999 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.8 t -118.23 131.67 70.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.594 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.37 118.77 29.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.246 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.535 HD11 HD11 ' A' ' 106' ' ' LEU . 62.5 mt -104.38 108.87 25.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.615 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -101.87 132.32 47.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.987 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -111.0 99.96 44.89 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.551 ' HB2' HD13 ' A' ' 66' ' ' LEU . 87.2 Cg_endo -95.36 1.69 2.45 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.714 2.942 . . . . 0.0 113.243 -177.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.27 159.66 23.68 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.995 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.22 -12.66 59.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 173.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 p -92.24 -154.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.026 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.15 -24.24 30.28 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -57.5 122.95 13.88 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -172.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.17 162.41 33.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.333 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -134.32 152.93 52.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.224 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.36 129.02 36.87 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.226 0.536 . . . . 0.0 111.837 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 pt -132.21 171.03 18.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' A' ' 93' ' ' LYS . 5.9 t -62.08 132.99 54.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.544 HD21 HG12 ' A' ' 53' ' ' VAL . 66.9 t30 -83.31 -12.89 56.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.04 0.448 . . . . 0.0 110.869 -173.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 51' ' ' SER . 31.8 mm -103.31 113.0 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 -177.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.536 ' HB2' HD21 ' A' ' 54' ' ' LEU . 10.8 t70 -72.31 124.96 91.51 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 173.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.48 -32.36 4.92 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.422 2.081 . . . . 0.0 113.932 -174.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -91.53 -44.04 9.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.878 0.37 . . . . 0.0 111.551 -173.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -89.54 -21.57 22.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.691 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' A' ' 46' ' ' ASP . 41.0 tt0 61.81 90.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.745 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 32.7 t -131.89 135.33 46.58 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.063 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -71.16 -33.87 70.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.856 0.36 . . . . 0.0 110.555 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.544 HG12 HD21 ' A' ' 44' ' ' ASN . 11.3 m -128.79 124.41 61.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.797 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 46' ' ' ASP . 87.4 mt -92.51 -1.72 56.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.66 0.743 . . . . 0.0 109.196 168.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.542 ' HB3' ' O ' ' A' ' 18' ' ' GLY . 1.4 m -69.06 -3.64 13.95 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.852 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -90.74 40.79 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.448 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.57 162.57 24.65 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.888 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.702 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.0 pt? -102.97 155.21 18.52 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 33' ' ' PRO . 63.4 mt -109.68 122.52 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.919 0.39 . . . . 0.0 110.704 -175.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.77 154.35 20.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.689 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.22 137.73 51.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.529 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -130.52 79.66 1.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.097 173.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.703 ' N ' HE21 ' A' ' 63' ' ' GLN . 0.0 OUTLIER 65.51 28.51 11.45 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.286 172.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.59 -19.28 9.81 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.583 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.52 ' OE2' ' HD2' ' A' ' 78' ' ' ARG . 8.2 tp10 -92.65 138.61 31.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 33' ' ' PRO . 88.6 mt -114.9 123.89 50.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.2 0.524 . . . . 0.0 111.238 -173.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -120.81 129.57 53.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.282 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 77' ' ' PHE . 8.6 p -96.49 125.25 49.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -111.69 113.79 26.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.605 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.7 m -93.73 110.84 49.85 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.257 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.07 -10.31 17.48 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.363 2.708 . . . . 0.0 112.946 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.8 mp -59.83 -34.23 72.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 21.6 tttm -147.27 10.23 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 12.8 ttpp 63.39 36.83 11.21 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.246 1.022 . . . . 0.0 108.463 -173.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -80.06 123.67 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.844 -174.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.653 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 74.4 mtt180 -114.75 114.38 25.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.544 -175.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 84' ' ' CYS . 88.9 m-85 -116.68 131.52 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.799 176.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.52 ' HD2' ' OE2' ' A' ' 65' ' ' GLU . 20.1 ttp85 -80.97 116.06 20.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.3 -17.66 64.33 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -171.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -60.61 -23.98 65.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.84 -69.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.163 0.506 . . . . 0.0 110.208 174.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.58 33.88 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.9 tp -85.45 110.94 19.52 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.535 -0.333 . . . . 0.0 110.537 -176.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.653 ' HA ' ' O ' ' A' ' 76' ' ' ARG . 49.0 t -84.98 134.22 34.24 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 82.6 mtp -62.91 -25.54 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.945 0.402 . . . . 0.0 111.189 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -93.1 -41.58 9.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.336 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . 37.8 t70 -92.04 10.6 28.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.898 0.38 . . . . 0.0 111.13 -176.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -53.05 -6.82 0.06 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -61.36 -38.05 85.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 122.416 0.286 . . . . 0.0 110.379 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -140.33 -33.29 0.57 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.0 m 72.55 178.91 0.23 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.62 0.575 . . . . 0.0 111.479 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.6 m -101.41 -175.68 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.248 0.547 . . . . 0.0 112.3 -174.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 15.9 tptm -77.92 123.16 26.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.545 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -101.76 139.25 37.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.689 0.28 . . . . 0.0 110.714 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.61 152.63 40.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.817 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.558 ' HG3' ' NH2' ' A' ' 107' ' ' ARG . 30.9 mm-40 -84.06 131.95 34.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.42 135.18 47.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 -177.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -145.67 158.79 43.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 10' ' ' ILE . 40.6 t -110.81 102.67 14.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.21 0.529 . . . . 0.0 110.403 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.524 ' HD3' ' NE2' ' A' ' 105' ' ' GLN . 1.9 ttpm? -86.56 105.63 16.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.074 -178.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 48.94 29.28 2.29 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.196 0.935 . . . . 0.0 112.464 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.88 -11.78 34.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.748 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.3 t -100.15 124.4 53.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.36 123.41 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.524 ' NE2' ' HD3' ' A' ' 100' ' ' LYS . 78.7 mt-30 -117.22 138.74 51.5 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.722 0.296 . . . . 0.0 110.642 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.535 HD11 HD11 ' A' ' 30' ' ' ILE . 76.3 mt -118.85 142.63 47.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.322 177.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.558 ' NH2' ' HG3' ' A' ' 96' ' ' GLU . 17.6 ttp180 -123.65 111.24 15.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.945 174.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -129.67 82.82 0.33 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.622 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.79 -135.14 7.36 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.346 177.993 . . . . . . . . 0 0 . 1 stop_ save_