data_1lqh_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 1lqh _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HB3' ' HB2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.254 0.55 . . . . 4.34 110.322 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 3.1 m -153.73 156.6 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.346 -0.846 . . . . 1.31 110.711 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.494 ' CD ' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -163.34 128.83 3.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.22 -0.925 . . . . 2.32 110.39 179.314 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.3 OUTLIER -92.28 110.81 22.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.917 -1.115 . . . . 0.85 108.482 178.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . . . -155.3 176.49 12.5 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.171 -0.955 . . . . 1.1 111.876 -178.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 43' ' ' TYR . 39.1 m-85 -79.65 96.08 6.1 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.357 -0.979 . . . . 2.04 108.357 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.575 HG12 ' CE1' ' A' ' 15' ' ' TYR . 12.5 tt -40.07 144.18 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.481 -0.762 . . . . 1.16 110.927 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.3 167.55 9.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.198 -0.939 . . . . 1.22 110.466 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -117.43 -167.11 1.26 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.291 -0.881 . . . . 3.31 109.791 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 11' ' ' TYR . 23.0 m-20 -35.7 -36.32 0.07 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.833 -0.542 . . . . 3.93 111.783 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.591 ' CD2' ' CD ' ' A' ' 65' ' ' ARG . 17.3 m-85 -140.44 59.95 1.55 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 118.557 -1.257 . . . . 3.82 112.042 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.512 ' ND2' ' CD ' ' A' ' 59' ' ' ARG . 2.2 t30 70.14 12.22 7.68 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.222 -0.924 . . . . 0.76 113.273 177.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' LYS . 59.9 m -89.61 140.28 29.71 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.26 -1.525 . . . . 1.13 109.673 179.473 -55.453 -58.708 102.542 104.592 2.021 104.118 85.825 116.76 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.518 ' CG2' ' HB3' ' A' ' 46' ' ' ALA . 17.0 m -75.03 162.81 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.784 -1.197 . . . . 1.19 110.522 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CE1' HG12 ' A' ' 7' ' ' ILE . 12.7 m-85 -79.96 86.8 5.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 2.28 110.561 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 45' ' ' ASN . 23.7 mt-10 -48.4 127.12 12.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.929 . . . . 2.72 109.819 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.555 ' SG ' ' CH2' ' A' ' 39' ' ' TRP . 27.5 p -131.8 176.92 7.93 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.213 -0.929 . . . . 0.95 110.493 -179.698 60.143 134.909 -170.988 104.259 2.02 104.311 -88.203 -79.871 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.93 -18.85 4.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.214 -0.929 . . . . 3.04 110.574 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -146.33 152.23 38.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.086 -1.009 . . . . 3.84 110.058 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' OD2' ' HB2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -55.62 -24.82 35.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.156 -0.965 . . . . 1.03 110.159 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.51 73.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 1.12 110.361 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -44.93 -66.92 0.33 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 2.23 110.372 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -43.85 -52.67 6.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.59 -0.694 . . . . 0.7 111.036 -179.281 -122.164 71.224 -179.549 103.871 2.019 103.97 -67.555 -137.201 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.458 ' O ' ' OG1' ' A' ' 28' ' ' THR . 0.4 OUTLIER -43.02 -45.8 5.3 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.274 -0.892 . . . . 1.25 109.939 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -69.35 -40.92 77.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.44 -0.788 . . . . 2.21 110.339 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.564 HD23 ' CG ' ' A' ' 15' ' ' TYR . 21.3 tp -65.87 -71.43 0.19 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.279 -0.888 . . . . 1.19 110.0 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.515 ' SG ' ' CB ' ' A' ' 32' ' ' ALA . 4.5 t -39.88 -59.23 1.23 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.352 -0.843 . . . . 0.75 110.88 179.557 -156.627 48.209 71.638 104.426 2.017 103.493 48.451 159.944 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 24' ' ' ASN . 69.2 p -56.66 -37.24 70.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.951 -1.093 . . . . 1.14 110.463 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 12.4 mttt -61.31 -36.94 81.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.154 -0.966 . . . . 2.78 110.861 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.452 ' O ' ' HG3' ' A' ' 53' ' ' PRO . 30.5 m-80 -76.13 -9.59 58.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.991 . . . . 0.56 110.384 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.83 24.29 7.79 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.439 -1.864 . . . . 0.45 108.439 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.515 ' CB ' ' SG ' ' A' ' 27' ' ' CYS . . . -93.45 -163.37 1.04 Allowed 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.906 -0.761 . . . . 1.07 111.046 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.0 t -100.98 -52.46 3.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.471 -0.768 . . . . 1.48 110.684 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.7 m -171.23 155.02 4.17 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.098 -1.001 . . . . 1.7 108.404 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' C ' ' HB3' ' A' ' 23' ' ' CYS . . . -134.08 172.19 21.84 Favored Glycine 0 N--CA 1.492 2.403 0 C-N-CA 118.284 -1.912 . . . . 0.67 111.477 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 48' ' ' TRP . 1.2 p90 -149.25 175.83 11.06 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.92 -0.753 . . . . 2.24 109.07 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 39' ' ' TRP . 22.6 m -104.53 152.7 22.08 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.416 -1.427 . . . . 1.05 112.424 -178.244 -79.871 -88.203 -170.988 104.311 2.02 104.259 134.909 60.143 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.46 ' HG2' ' OH ' ' A' ' 6' ' ' TYR . 49.1 tp60 -126.85 93.58 3.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.396 -0.815 . . . . 2.54 110.011 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 37' ' ' CYS . 10.5 m95 -78.64 150.84 32.55 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.947 -1.096 . . . . 3.12 110.582 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . 63.82 129.32 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.324 -0.86 . . . . 2.46 110.822 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.22 -166.81 26.64 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.74 -1.344 . . . . 2.08 109.74 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -66.93 -26.59 66.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -1.08 . . . . 2.87 109.787 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -100.65 18.12 20.09 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 108.296 -1.001 . . . . 2.58 108.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.57 -104.44 0.11 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 108.194 -1.963 . . . . 0.83 108.194 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.486 ' ND2' ' CE3' ' A' ' 39' ' ' TRP . 3.7 m120 -109.75 90.88 3.44 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.23 -1.159 . . . . 2.16 108.264 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.527 ' CB ' ' HB2' ' A' ' 43' ' ' TYR . . . -101.54 -157.94 0.64 Allowed 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.324 1.059 . . . . 1.22 112.618 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -145.68 112.68 6.06 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.266 -0.879 . . . . 1.07 109.077 179.9 -137.201 -67.555 -179.549 103.97 2.019 103.871 71.224 -122.164 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.578 ' CZ3' ' HA ' ' A' ' 5' ' ' ALA . 61.9 t-105 -87.37 108.35 18.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.161 -0.962 . . . . 0.48 110.645 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.515 ' SG ' ' CD1' ' A' ' 52' ' ' LEU . 1.7 t -94.45 125.77 39.31 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.754 -1.179 . . . . 0.75 108.83 178.907 159.944 48.451 71.638 103.493 2.017 104.426 48.209 -156.627 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER -89.48 156.57 18.56 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.968 0.889 . . . . 2.13 111.747 -178.24 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 32' ' ' ALA . . . 42.06 49.97 4.27 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.566 0.698 . . . . 1.09 110.63 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.515 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 23.4 tp -82.08 136.55 46.91 Favored Pre-proline 0 C--N 1.296 -1.73 0 O-C-N 121.555 -0.716 . . . . 1.18 109.336 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 52' ' ' LEU . 37.2 Cg_endo -61.5 141.95 93.48 Favored 'Trans proline' 0 C--N 1.294 -2.301 0 O-C-N 123.395 1.208 . . . . 0.46 109.444 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.494 ' HA ' ' CD ' ' A' ' 3' ' ' ARG . 1.8 m-20 -60.49 -10.85 5.54 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.486 -0.759 . . . . 1.79 111.515 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.453 ' OD1' HG21 ' A' ' 56' ' ' VAL . 15.6 p-10 -76.23 1.67 15.32 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.086 -1.009 . . . . 1.83 110.178 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.453 HG21 ' OD1' ' A' ' 55' ' ' ASN . 59.7 t -116.02 128.39 26.01 Favored Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.338 -0.851 . . . . 1.13 109.709 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.76 145.72 37.08 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 O-C-N 123.701 1.369 . . . . 0.73 110.718 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.471 HG22 ' NH2' ' A' ' 3' ' ' ARG . 1.8 pt -113.7 -173.58 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.253 -0.904 . . . . 1.39 110.162 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.512 ' CD ' ' ND2' ' A' ' 12' ' ' ASN . 1.2 tpp85 -80.57 120.19 24.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.9 . . . . 2.15 110.267 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.446 HG23 ' OD1' ' A' ' 12' ' ' ASN . 3.4 m -98.68 165.16 15.59 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.35 -0.844 . . . . 1.25 110.101 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 60' ' ' VAL . 43.9 Cg_endo -72.2 107.04 2.17 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.853 1.449 . . . . 1.29 110.53 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.71 -98.88 0.14 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.721 -1.351 . . . . 1.18 109.721 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -157.67 -163.92 1.44 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.311 -1.111 . . . . 3.62 110.075 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -160.15 172.74 16.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.868 . . . . 0.88 110.042 179.698 116.76 85.825 102.542 104.118 2.021 104.592 -58.708 -55.453 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.591 ' CD ' ' CD2' ' A' ' 11' ' ' TYR . 13.3 ttt180 . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 117.919 -1.039 . . . . 4.45 110.231 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.513 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.254 0.55 . . . . 3.95 110.322 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 1' ' ' MET . 3.1 m -153.73 156.6 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.346 -0.846 . . . . 0.59 110.711 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.477 ' CD ' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -163.34 128.83 3.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.22 -0.925 . . . . 1.71 110.39 179.314 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.3 OUTLIER -92.28 110.81 22.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.917 -1.115 . . . . 0.85 108.482 178.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.648 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . . . -155.3 176.49 12.5 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.171 -0.955 . . . . 0.31 111.876 -178.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 43' ' ' TYR . 39.1 m-85 -79.65 96.08 6.1 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.357 -0.979 . . . . 1.27 108.357 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.635 HG23 ' HD1' ' A' ' 15' ' ' TYR . 12.5 tt -40.07 144.18 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.481 -0.762 . . . . 0.45 110.927 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.64 ' HB2' ' C ' ' A' ' 58' ' ' ILE . . . -107.3 167.55 9.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.198 -0.939 . . . . 0.65 110.466 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -117.43 -167.11 1.26 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.291 -0.881 . . . . 2.82 109.791 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.59 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 23.0 m-20 -35.7 -36.32 0.07 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.833 -0.542 . . . . 3.16 111.783 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.604 ' CD2' ' HD2' ' A' ' 65' ' ' ARG . 17.3 m-85 -140.44 59.95 1.55 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 118.557 -1.257 . . . . 3.0 112.042 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.853 ' OD1' HG22 ' A' ' 60' ' ' VAL . 2.2 t30 70.14 12.22 7.68 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.222 -0.924 . . . . 0.59 113.273 177.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 59.9 m -89.61 140.28 29.71 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.26 -1.525 . . . . 1.13 109.673 179.473 -55.453 -58.708 102.542 104.592 2.021 104.118 85.825 116.76 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.677 HG11 ' HB3' ' A' ' 43' ' ' TYR . 17.0 m -75.03 162.81 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.784 -1.197 . . . . 0.48 110.522 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.635 ' HD1' HG23 ' A' ' 7' ' ' ILE . 12.7 m-85 -79.96 86.8 5.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 1.38 110.561 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 45' ' ' ASN . 23.7 mt-10 -48.4 127.12 12.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.929 . . . . 2.72 109.819 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.555 ' SG ' ' CH2' ' A' ' 39' ' ' TRP . 27.5 p -131.8 176.92 7.93 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.213 -0.929 . . . . 0.95 110.493 -179.698 60.143 134.909 -170.988 104.259 2.02 104.311 -88.203 -79.871 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.93 -18.85 4.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.214 -0.929 . . . . 2.26 110.574 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -146.33 152.23 38.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.086 -1.009 . . . . 3.16 110.058 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD2' ' HB2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -55.62 -24.82 35.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.156 -0.965 . . . . 1.03 110.159 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.51 73.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 0.47 110.361 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -44.93 -66.92 0.33 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 1.31 110.372 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -43.85 -52.67 6.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.59 -0.694 . . . . 0.7 111.036 -179.281 -122.164 71.224 -179.549 103.871 2.019 103.97 -67.555 -137.201 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' CYS . 20.2 t-20 -43.02 -45.8 5.3 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.274 -0.892 . . . . 1.22 109.939 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -69.35 -40.92 77.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.44 -0.788 . . . . 2.21 110.339 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD21 HD13 ' A' ' 7' ' ' ILE . 21.3 tp -65.87 -71.43 0.19 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.279 -0.888 . . . . 0.46 110.0 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.551 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 4.5 t -39.88 -59.23 1.23 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.352 -0.843 . . . . 0.6 110.88 179.557 -156.627 48.209 71.638 104.426 2.017 103.493 48.451 159.944 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.2 p -56.66 -37.24 70.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.951 -1.093 . . . . 0.46 110.463 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 12.4 mttt -61.31 -36.94 81.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.154 -0.966 . . . . 2.28 110.861 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.522 ' HB3' HG21 ' A' ' 56' ' ' VAL . 30.5 m-80 -76.13 -9.59 58.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.991 . . . . 0.56 110.384 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.83 24.29 7.79 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.439 -1.864 . . . . 0.44 108.439 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.569 ' HB2' HD12 ' A' ' 52' ' ' LEU . . . -93.45 -163.37 1.04 Allowed 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.906 -0.761 . . . . 0.32 111.046 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . 46.0 t -100.98 -52.46 3.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.471 -0.768 . . . . 0.97 110.684 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.7 m -171.23 155.02 4.17 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.098 -1.001 . . . . 1.38 108.404 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.435 ' C ' ' HB3' ' A' ' 23' ' ' CYS . . . -134.08 172.19 21.84 Favored Glycine 0 N--CA 1.492 2.403 0 C-N-CA 118.284 -1.912 . . . . 0.44 111.477 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 48' ' ' TRP . 1.2 p90 -149.25 175.83 11.06 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.92 -0.753 . . . . 1.35 109.07 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 39' ' ' TRP . 22.6 m -104.53 152.7 22.08 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.416 -1.427 . . . . 1.05 112.424 -178.244 -79.871 -88.203 -170.988 104.311 2.02 104.259 134.909 60.143 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' HG2' ' OH ' ' A' ' 6' ' ' TYR . 49.1 tp60 -126.85 93.58 3.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.396 -0.815 . . . . 2.07 110.011 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.641 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 10.5 m95 -78.64 150.84 32.55 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.947 -1.096 . . . . 2.28 110.582 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 39' ' ' TRP . . . 63.82 129.32 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.324 -0.86 . . . . 1.94 110.822 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.22 -166.81 26.64 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.74 -1.344 . . . . 1.5 109.74 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -66.93 -26.59 66.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -1.08 . . . . 2.42 109.787 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 1.052 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -100.65 18.12 20.09 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 108.296 -1.001 . . . . 1.71 108.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.57 -104.44 0.11 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 108.194 -1.963 . . . . 0.74 108.194 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.486 ' ND2' ' CE3' ' A' ' 39' ' ' TRP . 3.7 m120 -109.75 90.88 3.44 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.23 -1.159 . . . . 1.96 108.264 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.052 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -101.54 -157.94 0.64 Allowed 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.324 1.059 . . . . 0.5 112.618 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -145.68 112.68 6.06 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.266 -0.879 . . . . 1.03 109.077 179.9 -137.201 -67.555 -179.549 103.97 2.019 103.871 71.224 -122.164 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.648 ' CZ3' ' HA ' ' A' ' 5' ' ' ALA . 61.9 t-105 -87.37 108.35 18.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.161 -0.962 . . . . 0.48 110.645 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.909 ' SG ' HD13 ' A' ' 52' ' ' LEU . 1.7 t -94.45 125.77 39.31 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.754 -1.179 . . . . 0.75 108.83 178.907 159.944 48.451 71.638 103.493 2.017 104.426 48.209 -156.627 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER -89.48 156.57 18.56 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.968 0.889 . . . . 1.26 111.747 -178.24 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.477 ' HB3' ' CB ' ' A' ' 33' ' ' SER . . . 42.06 49.97 4.27 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.566 0.698 . . . . 0.44 110.63 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.909 HD13 ' SG ' ' A' ' 49' ' ' CYS . 23.4 tp -82.08 136.55 46.91 Favored Pre-proline 0 C--N 1.296 -1.73 0 O-C-N 121.555 -0.716 . . . . 0.41 109.336 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.654 ' HD2' HD12 ' A' ' 52' ' ' LEU . 37.2 Cg_endo -61.5 141.95 93.48 Favored 'Trans proline' 0 C--N 1.294 -2.301 0 O-C-N 123.395 1.208 . . . . 0.37 109.444 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.477 ' HA ' ' CD ' ' A' ' 3' ' ' ARG . 1.8 m-20 -60.49 -10.85 5.54 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.486 -0.759 . . . . 1.79 111.515 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.723 ' OD1' HG23 ' A' ' 56' ' ' VAL . 15.6 p-10 -76.23 1.67 15.32 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.086 -1.009 . . . . 1.21 110.178 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.723 HG23 ' OD1' ' A' ' 55' ' ' ASN . 59.7 t -116.02 128.39 26.01 Favored Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.338 -0.851 . . . . 0.42 109.709 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.76 145.72 37.08 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 O-C-N 123.701 1.369 . . . . 0.62 110.718 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.64 ' C ' ' HB2' ' A' ' 8' ' ' ALA . 1.8 pt -113.7 -173.58 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.253 -0.904 . . . . 0.86 110.162 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.541 ' HD3' ' ND2' ' A' ' 12' ' ' ASN . 1.2 tpp85 -80.57 120.19 24.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.9 . . . . 1.47 110.267 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.853 HG22 ' OD1' ' A' ' 12' ' ' ASN . 3.4 m -98.68 165.16 15.59 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.35 -0.844 . . . . 0.7 110.101 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 60' ' ' VAL . 43.9 Cg_endo -72.2 107.04 2.17 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.853 1.449 . . . . 1.21 110.53 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.71 -98.88 0.14 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.721 -1.351 . . . . 1.05 109.721 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -157.67 -163.92 1.44 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.311 -1.111 . . . . 3.17 110.075 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -160.15 172.74 16.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.868 . . . . 0.86 110.042 179.698 116.76 85.825 102.542 104.118 2.021 104.592 -58.708 -55.453 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.604 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 13.3 ttt180 . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 117.919 -1.039 . . . . 3.89 110.231 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.513 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.254 0.55 . . . . 3.95 110.322 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 1' ' ' MET . 3.1 m -153.73 156.6 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.346 -0.846 . . . . 0.59 110.711 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.477 ' CD ' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -163.34 128.83 3.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.22 -0.925 . . . . 1.71 110.39 179.314 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.3 OUTLIER -92.28 110.81 22.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.917 -1.115 . . . . 0.85 108.482 178.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.648 ' HA ' ' CZ3' ' A' ' 48' ' ' TRP . . . -155.3 176.49 12.5 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.171 -0.955 . . . . 0.31 111.876 -178.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 43' ' ' TYR . 39.1 m-85 -79.65 96.08 6.1 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.357 -0.979 . . . . 1.27 108.357 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.635 HG23 ' HD1' ' A' ' 15' ' ' TYR . 12.5 tt -40.07 144.18 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.481 -0.762 . . . . 0.45 110.927 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.64 ' HB2' ' C ' ' A' ' 58' ' ' ILE . . . -107.3 167.55 9.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.198 -0.939 . . . . 0.65 110.466 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -117.43 -167.11 1.26 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.291 -0.881 . . . . 2.82 109.791 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.59 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 23.0 m-20 -35.7 -36.32 0.07 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.833 -0.542 . . . . 3.16 111.783 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.604 ' CD2' ' HD2' ' A' ' 65' ' ' ARG . 17.3 m-85 -140.44 59.95 1.55 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 118.557 -1.257 . . . . 3.0 112.042 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.853 ' OD1' HG22 ' A' ' 60' ' ' VAL . 2.2 t30 70.14 12.22 7.68 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.222 -0.924 . . . . 0.59 113.273 177.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 59.9 m -89.61 140.28 29.71 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.26 -1.525 . . . . 1.13 109.673 179.473 -55.453 -58.708 102.542 104.592 2.021 104.118 85.825 116.76 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.677 HG11 ' HB3' ' A' ' 43' ' ' TYR . 17.0 m -75.03 162.81 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.784 -1.197 . . . . 0.48 110.522 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.635 ' HD1' HG23 ' A' ' 7' ' ' ILE . 12.7 m-85 -79.96 86.8 5.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 1.38 110.561 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 45' ' ' ASN . 23.7 mt-10 -48.4 127.12 12.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.929 . . . . 2.72 109.819 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.555 ' SG ' ' CH2' ' A' ' 39' ' ' TRP . 27.5 p -131.8 176.92 7.93 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.213 -0.929 . . . . 0.95 110.493 -179.698 60.143 134.909 -170.988 104.259 2.02 104.311 -88.203 -79.871 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.93 -18.85 4.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.214 -0.929 . . . . 2.26 110.574 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -146.33 152.23 38.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.086 -1.009 . . . . 3.16 110.058 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD2' ' HB2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -55.62 -24.82 35.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.156 -0.965 . . . . 1.03 110.159 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.51 73.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 0.47 110.361 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -44.93 -66.92 0.33 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 1.31 110.372 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -43.85 -52.67 6.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.59 -0.694 . . . . 0.7 111.036 -179.281 -122.164 71.224 -179.549 103.871 2.019 103.97 -67.555 -137.201 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER -43.02 -45.8 5.3 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.274 -0.892 . . . . 1.22 109.939 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -69.35 -40.92 77.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.44 -0.788 . . . . 2.21 110.339 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD21 HD13 ' A' ' 7' ' ' ILE . 21.3 tp -65.87 -71.43 0.19 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.279 -0.888 . . . . 0.46 110.0 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.551 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 4.5 t -39.88 -59.23 1.23 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.352 -0.843 . . . . 0.6 110.88 179.557 -156.627 48.209 71.638 104.426 2.017 103.493 48.451 159.944 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.2 p -56.66 -37.24 70.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.951 -1.093 . . . . 0.46 110.463 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 12.4 mttt -61.31 -36.94 81.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.154 -0.966 . . . . 2.28 110.861 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.522 ' HB3' HG21 ' A' ' 56' ' ' VAL . 30.5 m-80 -76.13 -9.59 58.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.991 . . . . 0.56 110.384 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.83 24.29 7.79 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.439 -1.864 . . . . 0.44 108.439 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.569 ' HB2' HD12 ' A' ' 52' ' ' LEU . . . -93.45 -163.37 1.04 Allowed 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.906 -0.761 . . . . 0.32 111.046 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . 46.0 t -100.98 -52.46 3.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.471 -0.768 . . . . 0.97 110.684 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.7 m -171.23 155.02 4.17 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.098 -1.001 . . . . 1.38 108.404 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.435 ' C ' ' HB3' ' A' ' 23' ' ' CYS . . . -134.08 172.19 21.84 Favored Glycine 0 N--CA 1.492 2.403 0 C-N-CA 118.284 -1.912 . . . . 0.44 111.477 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 48' ' ' TRP . 1.2 p90 -149.25 175.83 11.06 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.92 -0.753 . . . . 1.35 109.07 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 39' ' ' TRP . 22.6 m -104.53 152.7 22.08 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.416 -1.427 . . . . 1.05 112.424 -178.244 -79.871 -88.203 -170.988 104.311 2.02 104.259 134.909 60.143 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' HG2' ' OH ' ' A' ' 6' ' ' TYR . 49.1 tp60 -126.85 93.58 3.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.396 -0.815 . . . . 2.07 110.011 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.641 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 10.5 m95 -78.64 150.84 32.55 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.947 -1.096 . . . . 2.28 110.582 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 39' ' ' TRP . . . 63.82 129.32 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.324 -0.86 . . . . 1.94 110.822 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.22 -166.81 26.64 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.74 -1.344 . . . . 1.5 109.74 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -66.93 -26.59 66.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -1.08 . . . . 2.42 109.787 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 1.052 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -100.65 18.12 20.09 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 108.296 -1.001 . . . . 1.71 108.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.57 -104.44 0.11 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 108.194 -1.963 . . . . 0.74 108.194 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.486 ' ND2' ' CE3' ' A' ' 39' ' ' TRP . 3.7 m120 -109.75 90.88 3.44 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.23 -1.159 . . . . 1.96 108.264 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.052 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -101.54 -157.94 0.64 Allowed 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.324 1.059 . . . . 0.5 112.618 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -145.68 112.68 6.06 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.266 -0.879 . . . . 1.03 109.077 179.9 -137.201 -67.555 -179.549 103.97 2.019 103.871 71.224 -122.164 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.648 ' CZ3' ' HA ' ' A' ' 5' ' ' ALA . 61.9 t-105 -87.37 108.35 18.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.161 -0.962 . . . . 0.48 110.645 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.909 ' SG ' HD13 ' A' ' 52' ' ' LEU . 1.7 t -94.45 125.77 39.31 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.754 -1.179 . . . . 0.75 108.83 178.907 159.944 48.451 71.638 103.493 2.017 104.426 48.209 -156.627 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER -89.48 156.57 18.56 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.968 0.889 . . . . 1.26 111.747 -178.24 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.477 ' HB3' ' CB ' ' A' ' 33' ' ' SER . . . 42.06 49.97 4.27 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.566 0.698 . . . . 0.44 110.63 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.909 HD13 ' SG ' ' A' ' 49' ' ' CYS . 23.4 tp -82.08 136.55 46.91 Favored Pre-proline 0 C--N 1.296 -1.73 0 O-C-N 121.555 -0.716 . . . . 0.41 109.336 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.654 ' HD2' HD12 ' A' ' 52' ' ' LEU . 37.2 Cg_endo -61.5 141.95 93.48 Favored 'Trans proline' 0 C--N 1.294 -2.301 0 O-C-N 123.395 1.208 . . . . 0.37 109.444 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.477 ' HA ' ' CD ' ' A' ' 3' ' ' ARG . 1.8 m-20 -60.49 -10.85 5.54 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.486 -0.759 . . . . 1.79 111.515 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.723 ' OD1' HG23 ' A' ' 56' ' ' VAL . 15.6 p-10 -76.23 1.67 15.32 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.086 -1.009 . . . . 1.21 110.178 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.723 HG23 ' OD1' ' A' ' 55' ' ' ASN . 59.7 t -116.02 128.39 26.01 Favored Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.338 -0.851 . . . . 0.42 109.709 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.76 145.72 37.08 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 O-C-N 123.701 1.369 . . . . 0.62 110.718 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.64 ' C ' ' HB2' ' A' ' 8' ' ' ALA . 1.8 pt -113.7 -173.58 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.253 -0.904 . . . . 0.86 110.162 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.541 ' HD3' ' ND2' ' A' ' 12' ' ' ASN . 1.2 tpp85 -80.57 120.19 24.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.9 . . . . 1.47 110.267 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.853 HG22 ' OD1' ' A' ' 12' ' ' ASN . 3.4 m -98.68 165.16 15.59 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.35 -0.844 . . . . 0.7 110.101 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 60' ' ' VAL . 43.9 Cg_endo -72.2 107.04 2.17 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.853 1.449 . . . . 1.21 110.53 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.71 -98.88 0.14 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.721 -1.351 . . . . 1.05 109.721 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -157.67 -163.92 1.44 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.311 -1.111 . . . . 3.17 110.075 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -160.15 172.74 16.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.868 . . . . 0.86 110.042 179.698 116.76 85.825 102.542 104.118 2.021 104.592 -58.708 -55.453 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.604 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 13.3 ttt180 . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 117.919 -1.039 . . . . 3.89 110.231 -179.948 . . . . . . . . 1 1 . 1 stop_ save_