data_2u2f_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 2u2f _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' ' 53' ' ' ILE . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.474 -0.565 . . . . 2.73 109.474 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.557 ' CE1' ' OG ' ' A' ' 79' ' ' SER . 7.2 m-70 -153.37 -169.05 3.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.211 -0.931 . . . . 3.4 109.463 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -99.71 119.75 38.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.254 -0.904 . . . . 2.4 109.575 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.449 HD22 HG22 ' A' ' 56' ' ' THR . 74.0 mt -79.96 146.83 31.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.197 -0.939 . . . . 1.29 109.549 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.632 ' CE1' ' N ' ' A' ' 7' ' ' GLY . 2.3 t80 -114.54 134.7 54.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.477 -0.764 . . . . 2.16 109.906 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.485 ' CD1' HD12 ' A' ' 22' ' ' LEU . 3.2 mp -116.01 90.86 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.283 -0.886 . . . . 1.22 109.561 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.632 ' N ' ' CE1' ' A' ' 5' ' ' PHE . . . -97.74 56.34 1.16 Allowed Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.222 -1.551 . . . . 0.28 109.222 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.34 19.84 0.82 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 108.947 -1.661 . . . . 0.45 108.947 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.458 ' HG ' HG21 ' A' ' 6' ' ' ILE . 78.5 mt -72.44 150.91 91.75 Favored Pre-proline 0 N--CA 1.488 1.436 0 O-C-N 121.432 -1.04 . . . . 1.19 109.66 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.53 ' CG ' HD13 ' A' ' 13' ' ' LEU . 36.0 Cg_endo -77.86 -91.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.932 2.421 . . . . 0.86 110.493 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.469 ' HB3' ' O ' ' A' ' 10' ' ' PRO . 4.3 p30 175.53 -28.91 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.189 -0.945 . . . . 1.86 109.912 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -84.13 17.0 2.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.131 -0.981 . . . . 2.39 110.24 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 10' ' ' PRO . 89.2 mt -98.08 167.61 10.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.036 -1.04 . . . . 1.26 109.573 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -131.3 -104.5 0.27 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.304 -0.872 . . . . 1.52 109.606 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -122.3 -41.6 2.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.923 -1.11 . . . . 1.19 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.27 -19.2 47.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.406 -0.809 . . . . 2.24 109.529 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.499 ' NE2' ' HA ' ' A' ' 13' ' ' LEU . 29.9 mt-30 -84.46 -51.81 6.64 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 1.35 108.816 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 93.0 t -67.32 -19.11 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 108.654 -0.869 . . . . 1.13 108.654 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 23' ' ' THR . 15.9 tttt -84.17 -51.48 7.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.442 -0.786 . . . . 2.38 109.132 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 1.8 tt0 -54.85 -18.33 4.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.31 -0.869 . . . . 2.56 109.413 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 18' ' ' VAL . 30.3 mt -78.89 -48.29 14.92 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.268 -0.895 . . . . 1.26 108.732 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 6' ' ' ILE . 32.6 mt -86.13 10.69 13.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.383 -0.823 . . . . 1.28 108.991 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -110.41 2.67 19.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.233 -0.917 . . . . 1.46 109.609 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -23.9 63.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 1.71 109.009 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CE1' ' HG2' ' A' ' 58' ' ' GLN . 70.6 m-85 -89.05 -26.93 21.15 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.41 -0.806 . . . . 2.2 109.437 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.72 -173.86 42.73 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.541 -1.424 . . . . 0.41 109.541 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.65 145.77 23.42 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.803 2.335 . . . . 0.39 110.206 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.633 ' CD2' ' CE1' ' A' ' 50' ' ' TYR . 1.3 mt -104.45 133.79 48.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.925 . . . . 1.04 109.881 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -79.24 -14.77 58.84 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.349 -0.982 . . . . 3.22 108.349 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB1' ' CG ' ' A' ' 49' ' ' GLU . . . -149.05 156.61 42.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.366 -0.834 . . . . 1.11 109.587 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -157.72 149.6 22.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.305 -0.872 . . . . 2.18 109.495 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 28.9 t30 -164.45 166.28 20.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.348 -0.845 . . . . 0.75 109.07 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.517 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 1.3 mt -135.7 154.84 51.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 1.83 109.415 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.646 ' CG1' ' CZ ' ' A' ' 45' ' ' TYR . 2.7 t -132.67 109.26 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.203 -0.935 . . . . 1.33 110.236 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -160.43 136.11 8.24 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.486 -0.931 . . . . 4.02 108.486 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 18.0 t0 -48.35 -70.48 0.09 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.952 -1.093 . . . . 3.05 109.387 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.2 m 48.27 25.16 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.317 -0.864 . . . . 5.57 109.236 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.37 -36.73 1.11 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.303 -0.873 . . . . 4.46 109.767 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -119.86 -13.4 9.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.192 -0.943 . . . . 5.56 109.652 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.54 12.62 6.05 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.719 -1.353 . . . . 4.92 109.719 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -100.21 176.75 5.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.199 -1.177 . . . . 5.65 109.162 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' LYS . 85.1 p -151.87 91.46 1.63 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.32 -0.863 . . . . 4.16 109.744 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 30.4 mmtt -44.16 -59.94 2.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.659 -0.867 . . . . 2.73 108.659 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.91 32.36 6.53 Favored Glycine 0 N--CA 1.487 2.066 0 C-N-CA 120.0 -1.095 . . . . 1.18 110.707 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.646 ' CZ ' ' CG1' ' A' ' 34' ' ' VAL . 19.6 p90 -159.05 163.31 36.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.691 -1.476 . . . . 2.31 109.963 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.517 ' CB ' ' HA ' ' A' ' 33' ' ' LEU . . . -146.09 -169.9 3.36 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.462 -0.774 . . . . 1.07 109.979 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.406 ' CE1' ' HD2' ' A' ' 5' ' ' PHE . 62.9 m-85 -141.44 159.61 41.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.374 -0.828 . . . . 2.19 109.141 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.458 ' C ' ' CG ' ' A' ' 49' ' ' GLU . 28.4 p -165.08 174.59 10.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.152 -0.968 . . . . 0.93 109.571 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.526 ' CG ' ' HB1' ' A' ' 30' ' ' ALA . 11.5 mt-10 -155.13 144.74 21.33 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 1.24 109.048 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.633 ' CE1' ' CD2' ' A' ' 28' ' ' LEU . 27.4 m-85 -100.54 168.61 9.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.698 -0.626 . . . . 2.2 109.615 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.4 t -80.7 -36.95 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 108.229 -1.026 . . . . 1.13 108.229 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -97.95 165.21 12.03 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.966 -0.753 . . . . 1.14 108.966 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.498 ' CD1' ' N ' ' A' ' 53' ' ' ILE . 2.7 mp -90.11 -53.37 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.073 -1.017 . . . . 1.6 109.601 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -49.44 -44.02 45.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.178 -0.951 . . . . 0.8 109.385 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.555 HG13 ' CG ' ' A' ' 50' ' ' TYR . 54.2 t -46.8 -44.95 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 1.09 109.655 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.449 HG22 HD22 ' A' ' 4' ' ' LEU . 1.9 m -57.89 -52.4 65.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.359 -0.838 . . . . 0.97 109.804 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -17.27 33.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.131 -0.981 . . . . 1.88 109.338 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.57 ' HG2' ' CE1' ' A' ' 25' ' ' PHE . 8.9 tt0 -81.04 -43.78 19.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.255 -0.903 . . . . 0.86 109.228 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.55 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . . . -61.28 -30.9 70.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.419 -0.801 . . . . 1.06 109.7 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.51 ' CD1' ' HG3' ' A' ' 77' ' ' ARG . 20.8 mt -73.67 -29.99 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.929 . . . . 1.3 109.39 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.21 -16.11 59.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.862 . . . . 1.25 109.506 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -118.54 21.02 10.02 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.694 -1.362 . . . . 0.67 109.694 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 64' ' ' ASN . 83.5 mt -147.95 -61.5 0.26 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -1.184 . . . . 1.51 109.605 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' LEU . 7.7 t-20 -43.12 116.04 0.85 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.293 -0.879 . . . . 2.04 109.695 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.16 56.05 1.24 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.512 -1.435 . . . . 0.68 109.512 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.441 ' O ' HD21 ' A' ' 73' ' ' LEU . 10.2 ttt -135.68 70.2 1.43 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -1.177 . . . . 2.52 109.589 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' A' ' 68' ' ' LEU . 15.8 tm0? -48.6 172.25 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 2.81 109.654 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' N ' ' CD ' ' A' ' 67' ' ' GLN . 15.9 tp -133.0 -75.58 0.49 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.734 -0.604 . . . . 2.72 109.682 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.6 -55.05 0.03 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.343 -1.503 . . . . 2.45 109.343 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -129.13 5.18 5.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.298 -1.119 . . . . 3.93 109.634 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -137.11 161.1 37.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.179 -0.951 . . . . 3.51 109.589 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -110.41 138.42 46.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.256 -0.903 . . . . 2.41 109.517 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.583 ' N ' ' CD2' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -67.84 106.4 2.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.373 -0.83 . . . . 1.73 109.603 -179.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.517 ' N ' HD22 ' A' ' 74' ' ' LEU . 3.0 mt -85.63 62.67 7.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.226 -0.922 . . . . 2.19 109.412 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.4 t -95.2 111.62 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.24 -0.912 . . . . 1.15 109.62 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -153.19 -168.0 2.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.904 . . . . 1.59 109.357 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.51 ' HG3' ' CD1' ' A' ' 60' ' ' ILE . 33.7 mtp180 -82.82 114.25 21.01 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.167 -0.958 . . . . 3.03 109.635 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.53 ' CB ' ' HB2' ' A' ' 5' ' ' PHE . . . -90.19 76.16 6.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.866 . . . . 1.16 109.603 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.557 ' OG ' ' CE1' ' A' ' 2' ' ' HIS . 2.6 t -160.07 68.71 0.39 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.164 -0.96 . . . . 2.14 109.528 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.58 ' CG2' ' N ' ' A' ' 81' ' ' GLY . 0.7 OUTLIER -108.46 -93.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.265 -0.897 . . . . 4.53 109.283 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.58 ' N ' ' CG2' ' A' ' 80' ' ' VAL . . . 34.53 33.82 0.03 OUTLIER Glycine 0 N--CA 1.496 2.673 0 N-CA-C 110.238 -1.145 . . . . 5.14 110.238 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 80' ' ' VAL . . . -120.84 145.17 47.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.223 -1.163 . . . . 6.64 110.07 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -106.75 8.42 30.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.468 -0.77 . . . . 8.37 109.093 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -87.48 93.2 9.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.283 -0.886 . . . . 7.41 109.457 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.032 -0.985 . . . . 8.6 109.47 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.562 ' HB2' ' CG1' ' A' ' 53' ' ' ILE . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.474 -0.565 . . . . 2.23 109.474 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.557 ' CE1' ' OG ' ' A' ' 79' ' ' SER . 7.2 m-70 -153.37 -169.05 3.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.211 -0.931 . . . . 2.97 109.463 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 22.9 mtpt -99.71 119.75 38.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.254 -0.904 . . . . 1.91 109.575 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.019 HD21 HG23 ' A' ' 56' ' ' THR . 74.0 mt -79.96 146.83 31.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.197 -0.939 . . . . 0.67 109.549 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.884 ' CB ' ' HB2' ' A' ' 78' ' ' ALA . 2.3 t80 -114.54 134.7 54.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.477 -0.764 . . . . 1.24 109.906 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.2 mp -116.01 90.86 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.283 -0.886 . . . . 0.47 109.561 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.632 ' N ' ' CE1' ' A' ' 5' ' ' PHE . . . -97.74 56.34 1.16 Allowed Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.222 -1.551 . . . . 0.28 109.222 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.762 ' HA3' HD13 ' A' ' 73' ' ' LEU . . . -152.34 19.84 0.82 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 108.947 -1.661 . . . . 0.45 108.947 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HG ' HG22 ' A' ' 6' ' ' ILE . 78.5 mt -72.44 150.91 91.75 Favored Pre-proline 0 N--CA 1.488 1.436 0 O-C-N 121.432 -1.04 . . . . 0.47 109.66 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.771 ' HD2' HD12 ' A' ' 13' ' ' LEU . 36.0 Cg_endo -77.86 -91.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.932 2.421 . . . . 0.86 110.493 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 10' ' ' PRO . 5.6 p-10 175.53 -28.91 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.189 -0.945 . . . . 1.38 109.912 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -84.13 17.0 2.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.131 -0.981 . . . . 1.56 110.24 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.781 HD22 ' HB3' ' A' ' 17' ' ' GLN . 89.2 mt -98.08 167.61 10.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.036 -1.04 . . . . 0.7 109.573 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -131.3 -104.5 0.27 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.304 -0.872 . . . . 1.09 109.606 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -122.3 -41.6 2.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.923 -1.11 . . . . 1.19 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.27 -19.2 47.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.406 -0.809 . . . . 2.24 109.529 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.781 ' HB3' HD22 ' A' ' 13' ' ' LEU . 84.9 mt-30 -84.46 -51.81 6.64 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 1.35 108.816 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.869 ' HA ' HD12 ' A' ' 21' ' ' LEU . 93.0 t -67.32 -19.11 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 108.654 -0.869 . . . . 0.41 108.654 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' HB ' ' A' ' 23' ' ' THR . 15.9 tttt -84.17 -51.48 7.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.442 -0.786 . . . . 1.79 109.132 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 1.8 tt0 -54.85 -18.33 4.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.31 -0.869 . . . . 2.56 109.413 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 18' ' ' VAL . 30.3 mt -78.89 -48.29 14.92 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.268 -0.895 . . . . 0.49 108.732 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.528 HD21 HG12 ' A' ' 6' ' ' ILE . 32.6 mt -86.13 10.69 13.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.383 -0.823 . . . . 0.64 108.991 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 23' ' ' THR . 0.5 OUTLIER -110.41 2.67 19.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.233 -0.917 . . . . 0.91 109.609 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -23.9 63.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 1.27 109.009 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 58' ' ' GLN . 70.6 m-85 -89.05 -26.93 21.15 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.41 -0.806 . . . . 1.34 109.437 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.72 -173.86 42.73 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.541 -1.424 . . . . 0.3 109.541 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.65 145.77 23.42 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.803 2.335 . . . . 0.39 110.206 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.633 ' CD2' ' CE1' ' A' ' 50' ' ' TYR . 1.3 mt -104.45 133.79 48.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.925 . . . . 0.23 109.881 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -79.24 -14.77 58.84 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.349 -0.982 . . . . 2.71 108.349 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.681 ' HB3' ' CG ' ' A' ' 49' ' ' GLU . . . -149.05 156.61 42.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.366 -0.834 . . . . 0.21 109.587 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -157.72 149.6 22.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.305 -0.872 . . . . 1.26 109.495 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.6 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 28.9 t30 -164.45 166.28 20.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.348 -0.845 . . . . 0.69 109.07 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.527 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 1.3 mt -135.7 154.84 51.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 1.16 109.415 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.992 HG11 ' CZ ' ' A' ' 45' ' ' TYR . 2.7 t -132.67 109.26 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.203 -0.935 . . . . 0.57 110.236 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -160.43 136.11 8.24 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.486 -0.931 . . . . 3.65 108.486 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.483 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 18.0 t0 -48.35 -70.48 0.09 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.952 -1.093 . . . . 3.05 109.387 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.2 m 48.27 25.16 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.317 -0.864 . . . . 5.26 109.236 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.37 -36.73 1.11 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.303 -0.873 . . . . 4.2 109.767 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -119.86 -13.4 9.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.192 -0.943 . . . . 5.12 109.652 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.54 12.62 6.05 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.719 -1.353 . . . . 4.49 109.719 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -100.21 176.75 5.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.199 -1.177 . . . . 5.26 109.162 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' LYS . 85.1 p -151.87 91.46 1.63 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.32 -0.863 . . . . 3.82 109.744 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.604 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 30.4 mmtt -44.16 -59.94 2.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.659 -0.867 . . . . 2.36 108.659 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.91 32.36 6.53 Favored Glycine 0 N--CA 1.487 2.066 0 C-N-CA 120.0 -1.095 . . . . 0.67 110.707 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.992 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 19.6 p90 -159.05 163.31 36.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.691 -1.476 . . . . 1.43 109.963 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.804 ' HA ' HG23 ' A' ' 34' ' ' VAL . . . -146.09 -169.9 3.36 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.462 -0.774 . . . . 0.58 109.979 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.406 ' CE1' ' HD2' ' A' ' 5' ' ' PHE . 62.9 m-85 -141.44 159.61 41.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.374 -0.828 . . . . 1.29 109.141 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 28.4 p -165.08 174.59 10.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.152 -0.968 . . . . 0.35 109.571 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.681 ' CG ' ' HB3' ' A' ' 30' ' ' ALA . 11.5 mt-10 -155.13 144.74 21.33 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 1.24 109.048 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.633 ' CE1' ' CD2' ' A' ' 28' ' ' LEU . 27.4 m-85 -100.54 168.61 9.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.698 -0.626 . . . . 1.26 109.615 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.4 t -80.7 -36.95 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 108.229 -1.026 . . . . 0.33 108.229 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' HB3' HG23 ' A' ' 55' ' ' VAL . 27.8 t0 -97.95 165.21 12.03 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.966 -0.753 . . . . 1.14 108.966 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 53' ' ' ILE . 2.7 mp -90.11 -53.37 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.073 -1.017 . . . . 0.86 109.601 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -49.44 -44.02 45.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.178 -0.951 . . . . 0.58 109.385 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 52' ' ' ASP . 54.2 t -46.8 -44.95 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 0.3 109.655 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.019 HG23 HD21 ' A' ' 4' ' ' LEU . 1.9 m -57.89 -52.4 65.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.359 -0.838 . . . . 0.33 109.804 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -17.27 33.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.131 -0.981 . . . . 1.88 109.338 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.577 ' HG2' ' CE1' ' A' ' 25' ' ' PHE . 57.3 tt0 -81.04 -43.78 19.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.255 -0.903 . . . . 0.86 109.228 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.557 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . . . -61.28 -30.9 70.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.419 -0.801 . . . . 0.4 109.7 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.827 HD11 ' HG3' ' A' ' 77' ' ' ARG . 20.8 mt -73.67 -29.99 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.929 . . . . 0.64 109.39 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.21 -16.11 59.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.862 . . . . 0.62 109.506 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' C ' ' HG ' ' A' ' 63' ' ' LEU . . . -118.54 21.02 10.02 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.694 -1.362 . . . . 0.62 109.694 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 64' ' ' ASN . 83.5 mt -147.95 -61.5 0.26 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -1.184 . . . . 0.99 109.605 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.548 ' HB2' HG23 ' A' ' 60' ' ' ILE . 7.7 t-20 -43.12 116.04 0.85 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.293 -0.879 . . . . 1.78 109.695 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.16 56.05 1.24 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.512 -1.435 . . . . 0.65 109.512 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.469 ' O ' HD23 ' A' ' 73' ' ' LEU . 10.2 ttt -135.68 70.2 1.43 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -1.177 . . . . 2.04 109.589 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' A' ' 68' ' ' LEU . 15.8 tm0? -48.6 172.25 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 2.3 109.654 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' N ' ' CD ' ' A' ' 67' ' ' GLN . 15.9 tp -133.0 -75.58 0.49 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.734 -0.604 . . . . 2.44 109.682 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.6 -55.05 0.03 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.343 -1.503 . . . . 2.45 109.343 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -129.13 5.18 5.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.298 -1.119 . . . . 3.93 109.634 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -137.11 161.1 37.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.179 -0.951 . . . . 3.09 109.589 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -110.41 138.42 46.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.256 -0.903 . . . . 2.01 109.517 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.762 HD13 ' HA3' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -67.84 106.4 2.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.373 -0.83 . . . . 1.1 109.603 -179.792 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 74' ' ' LEU . 3.0 mt -85.63 62.67 7.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.226 -0.922 . . . . 1.56 109.412 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.4 t -95.2 111.62 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.24 -0.912 . . . . 0.71 109.62 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -153.19 -168.0 2.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.904 . . . . 1.51 109.357 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.827 ' HG3' HD11 ' A' ' 60' ' ' ILE . 33.7 mtp180 -82.82 114.25 21.01 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.167 -0.958 . . . . 2.49 109.635 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.884 ' HB2' ' CB ' ' A' ' 5' ' ' PHE . . . -90.19 76.16 6.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.866 . . . . 0.58 109.603 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.557 ' OG ' ' CE1' ' A' ' 2' ' ' HIS . 2.6 t -160.07 68.71 0.39 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.164 -0.96 . . . . 1.69 109.528 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.833 HG22 ' N ' ' A' ' 81' ' ' GLY . 0.7 OUTLIER -108.46 -93.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.265 -0.897 . . . . 4.12 109.283 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.833 ' N ' HG22 ' A' ' 80' ' ' VAL . . . 34.53 33.82 0.03 OUTLIER Glycine 0 N--CA 1.496 2.673 0 N-CA-C 110.238 -1.145 . . . . 5.14 110.238 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 80' ' ' VAL . . . -120.84 145.17 47.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.223 -1.163 . . . . 6.29 110.07 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -106.75 8.42 30.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.468 -0.77 . . . . 8.12 109.093 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -87.48 93.2 9.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.283 -0.886 . . . . 7.25 109.457 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.032 -0.985 . . . . 8.58 109.47 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.562 ' HB2' ' CG1' ' A' ' 53' ' ' ILE . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.474 -0.565 . . . . 2.23 109.474 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.557 ' CE1' ' OG ' ' A' ' 79' ' ' SER . 7.2 m-70 -153.37 -169.05 3.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.211 -0.931 . . . . 2.97 109.463 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 22.9 mtpt -99.71 119.75 38.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.254 -0.904 . . . . 1.91 109.575 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.019 HD21 HG23 ' A' ' 56' ' ' THR . 74.0 mt -79.96 146.83 31.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.197 -0.939 . . . . 0.67 109.549 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.884 ' CB ' ' HB2' ' A' ' 78' ' ' ALA . 2.3 t80 -114.54 134.7 54.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.477 -0.764 . . . . 1.24 109.906 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.2 mp -116.01 90.86 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.283 -0.886 . . . . 0.47 109.561 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.632 ' N ' ' CE1' ' A' ' 5' ' ' PHE . . . -97.74 56.34 1.16 Allowed Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.222 -1.551 . . . . 0.28 109.222 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.762 ' HA3' HD13 ' A' ' 73' ' ' LEU . . . -152.34 19.84 0.82 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 108.947 -1.661 . . . . 0.45 108.947 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HG ' HG22 ' A' ' 6' ' ' ILE . 78.5 mt -72.44 150.91 91.75 Favored Pre-proline 0 N--CA 1.488 1.436 0 O-C-N 121.432 -1.04 . . . . 0.47 109.66 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.771 ' HD2' HD12 ' A' ' 13' ' ' LEU . 36.0 Cg_endo -77.86 -91.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.932 2.421 . . . . 0.86 110.493 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 10' ' ' PRO . 4.3 p30 175.53 -28.91 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.189 -0.945 . . . . 1.38 109.912 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -84.13 17.0 2.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.131 -0.981 . . . . 1.56 110.24 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.781 HD22 ' HB3' ' A' ' 17' ' ' GLN . 89.2 mt -98.08 167.61 10.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.036 -1.04 . . . . 0.7 109.573 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -131.3 -104.5 0.27 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.304 -0.872 . . . . 1.09 109.606 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -122.3 -41.6 2.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.923 -1.11 . . . . 1.19 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.27 -19.2 47.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.406 -0.809 . . . . 2.24 109.529 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.781 ' HB3' HD22 ' A' ' 13' ' ' LEU . 29.9 mt-30 -84.46 -51.81 6.64 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 1.35 108.816 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.869 ' HA ' HD12 ' A' ' 21' ' ' LEU . 93.0 t -67.32 -19.11 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 108.654 -0.869 . . . . 0.41 108.654 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' HB ' ' A' ' 23' ' ' THR . 15.9 tttt -84.17 -51.48 7.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.442 -0.786 . . . . 1.79 109.132 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 1.8 tt0 -54.85 -18.33 4.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.31 -0.869 . . . . 2.56 109.413 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 18' ' ' VAL . 30.3 mt -78.89 -48.29 14.92 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.268 -0.895 . . . . 0.49 108.732 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.528 HD21 HG12 ' A' ' 6' ' ' ILE . 32.6 mt -86.13 10.69 13.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.383 -0.823 . . . . 0.64 108.991 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 23' ' ' THR . 0.5 OUTLIER -110.41 2.67 19.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.233 -0.917 . . . . 0.91 109.609 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -23.9 63.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 1.27 109.009 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 58' ' ' GLN . 70.6 m-85 -89.05 -26.93 21.15 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.41 -0.806 . . . . 1.34 109.437 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.72 -173.86 42.73 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.541 -1.424 . . . . 0.3 109.541 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -77.65 145.77 23.42 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.803 2.335 . . . . 0.39 110.206 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.633 ' CD2' ' CE1' ' A' ' 50' ' ' TYR . 1.3 mt -104.45 133.79 48.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.925 . . . . 0.23 109.881 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -79.24 -14.77 58.84 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.349 -0.982 . . . . 2.71 108.349 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.681 ' HB3' ' CG ' ' A' ' 49' ' ' GLU . . . -149.05 156.61 42.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.366 -0.834 . . . . 0.21 109.587 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -157.72 149.6 22.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.305 -0.872 . . . . 1.26 109.495 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.6 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 28.9 t30 -164.45 166.28 20.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.348 -0.845 . . . . 0.69 109.07 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.527 ' HA ' ' CB ' ' A' ' 46' ' ' ALA . 1.3 mt -135.7 154.84 51.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 1.16 109.415 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.992 HG11 ' CZ ' ' A' ' 45' ' ' TYR . 2.7 t -132.67 109.26 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.203 -0.935 . . . . 0.57 110.236 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -160.43 136.11 8.24 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.486 -0.931 . . . . 3.65 108.486 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.483 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 18.0 t0 -48.35 -70.48 0.09 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.952 -1.093 . . . . 3.05 109.387 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.2 m 48.27 25.16 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.317 -0.864 . . . . 5.26 109.236 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.37 -36.73 1.11 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.303 -0.873 . . . . 4.2 109.767 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -119.86 -13.4 9.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.192 -0.943 . . . . 5.12 109.652 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.54 12.62 6.05 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.719 -1.353 . . . . 4.49 109.719 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -100.21 176.75 5.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.199 -1.177 . . . . 5.26 109.162 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' LYS . 85.1 p -151.87 91.46 1.63 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.32 -0.863 . . . . 3.82 109.744 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.604 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 30.4 mmtt -44.16 -59.94 2.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.659 -0.867 . . . . 2.36 108.659 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.91 32.36 6.53 Favored Glycine 0 N--CA 1.487 2.066 0 C-N-CA 120.0 -1.095 . . . . 0.67 110.707 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.992 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 19.6 p90 -159.05 163.31 36.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.691 -1.476 . . . . 1.43 109.963 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.804 ' HA ' HG23 ' A' ' 34' ' ' VAL . . . -146.09 -169.9 3.36 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.462 -0.774 . . . . 0.58 109.979 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.406 ' CE1' ' HD2' ' A' ' 5' ' ' PHE . 62.9 m-85 -141.44 159.61 41.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.374 -0.828 . . . . 1.29 109.141 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 28.4 p -165.08 174.59 10.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.152 -0.968 . . . . 0.35 109.571 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.681 ' CG ' ' HB3' ' A' ' 30' ' ' ALA . 11.5 mt-10 -155.13 144.74 21.33 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 1.24 109.048 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.633 ' CE1' ' CD2' ' A' ' 28' ' ' LEU . 27.4 m-85 -100.54 168.61 9.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.698 -0.626 . . . . 1.26 109.615 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.4 t -80.7 -36.95 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 108.229 -1.026 . . . . 0.33 108.229 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' HB3' HG23 ' A' ' 55' ' ' VAL . 27.8 t0 -97.95 165.21 12.03 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.966 -0.753 . . . . 1.14 108.966 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 53' ' ' ILE . 2.7 mp -90.11 -53.37 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.073 -1.017 . . . . 0.86 109.601 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -49.44 -44.02 45.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.178 -0.951 . . . . 0.58 109.385 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 52' ' ' ASP . 54.2 t -46.8 -44.95 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 0.3 109.655 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.019 HG23 HD21 ' A' ' 4' ' ' LEU . 1.9 m -57.89 -52.4 65.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.359 -0.838 . . . . 0.33 109.804 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -17.27 33.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.131 -0.981 . . . . 1.88 109.338 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.577 ' HG2' ' CE1' ' A' ' 25' ' ' PHE . 8.9 tt0 -81.04 -43.78 19.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.255 -0.903 . . . . 0.86 109.228 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.557 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . . . -61.28 -30.9 70.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.419 -0.801 . . . . 0.4 109.7 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.827 HD11 ' HG3' ' A' ' 77' ' ' ARG . 20.8 mt -73.67 -29.99 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.929 . . . . 0.64 109.39 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.21 -16.11 59.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.862 . . . . 0.62 109.506 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' C ' ' HG ' ' A' ' 63' ' ' LEU . . . -118.54 21.02 10.02 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.694 -1.362 . . . . 0.62 109.694 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 64' ' ' ASN . 83.5 mt -147.95 -61.5 0.26 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -1.184 . . . . 0.99 109.605 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.548 ' HB2' HG23 ' A' ' 60' ' ' ILE . 7.7 t-20 -43.12 116.04 0.85 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.293 -0.879 . . . . 1.78 109.695 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.16 56.05 1.24 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.512 -1.435 . . . . 0.65 109.512 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.469 ' O ' HD23 ' A' ' 73' ' ' LEU . 10.2 ttt -135.68 70.2 1.43 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -1.177 . . . . 2.04 109.589 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' A' ' 68' ' ' LEU . 15.8 tm0? -48.6 172.25 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 2.3 109.654 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' N ' ' CD ' ' A' ' 67' ' ' GLN . 15.9 tp -133.0 -75.58 0.49 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.734 -0.604 . . . . 2.44 109.682 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.6 -55.05 0.03 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.343 -1.503 . . . . 2.45 109.343 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -129.13 5.18 5.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.298 -1.119 . . . . 3.93 109.634 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -137.11 161.1 37.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.179 -0.951 . . . . 3.09 109.589 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -110.41 138.42 46.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.256 -0.903 . . . . 2.01 109.517 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.762 HD13 ' HA3' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -67.84 106.4 2.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.373 -0.83 . . . . 1.1 109.603 -179.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 74' ' ' LEU . 3.0 mt -85.63 62.67 7.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.226 -0.922 . . . . 1.56 109.412 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.4 t -95.2 111.62 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.24 -0.912 . . . . 0.71 109.62 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -153.19 -168.0 2.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.904 . . . . 1.51 109.357 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.827 ' HG3' HD11 ' A' ' 60' ' ' ILE . 33.7 mtp180 -82.82 114.25 21.01 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.167 -0.958 . . . . 2.49 109.635 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.884 ' HB2' ' CB ' ' A' ' 5' ' ' PHE . . . -90.19 76.16 6.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.866 . . . . 0.58 109.603 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.557 ' OG ' ' CE1' ' A' ' 2' ' ' HIS . 2.6 t -160.07 68.71 0.39 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.164 -0.96 . . . . 1.69 109.528 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.833 HG22 ' N ' ' A' ' 81' ' ' GLY . 0.7 OUTLIER -108.46 -93.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.265 -0.897 . . . . 4.12 109.283 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.833 ' N ' HG22 ' A' ' 80' ' ' VAL . . . 34.53 33.82 0.03 OUTLIER Glycine 0 N--CA 1.496 2.673 0 N-CA-C 110.238 -1.145 . . . . 5.14 110.238 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 80' ' ' VAL . . . -120.84 145.17 47.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.223 -1.163 . . . . 6.29 110.07 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -106.75 8.42 30.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.468 -0.77 . . . . 8.12 109.093 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -87.48 93.2 9.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.283 -0.886 . . . . 7.25 109.457 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.032 -0.985 . . . . 8.58 109.47 -179.951 . . . . . . . . 0 0 . 1 stop_ save_