data_1fkt_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 1fkt _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' ' ' GLY . . . . . 0.551 ' CA ' ' OG ' ' A' ' 77' ' ' SER . . . . . . . . 0 C--O 1.213 -1.183 0 N-CA-C 116.294 1.278 . . . . 1.72 116.294 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.42 HG11 ' CE2' ' A' ' 80' ' ' TYR . 9.2 p -72.76 150.81 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 113.579 0.955 . . . . 0.05 113.579 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -129.56 152.39 49.14 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 103.083 -2.932 . . . . 6.21 103.083 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -122.9 108.62 21.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.071 -1.085 . . . . 0.12 108.071 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.538 ' CD ' ' NZ ' ' A' ' 73' ' ' LYS . 37.8 mt-10 -110.21 89.31 2.99 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 103.749 -2.686 . . . . 6.39 103.749 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.1 m -69.34 155.0 41.15 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 114.466 -1.243 . . . . 0.08 108.916 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.6 mt -118.33 -57.81 3.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 102.358 -3.201 . . . . 0.13 102.358 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -113.28 114.03 48.41 Favored Pre-proline 0 C--N 1.302 -1.461 1 N-CA-C 99.922 -4.103 . . . . 1.46 99.922 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -57.04 167.76 2.99 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 121.213 1.275 . . . . 0.09 109.12 163.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.26 -175.12 18.32 Favored Glycine 0 N--CA 1.494 2.552 1 N-CA-C 102.938 -4.065 . . . . 0.27 102.938 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.464 ' CG ' ' H ' ' A' ' 13' ' ' ARG . 1.2 p-10 -39.58 -45.19 1.58 Allowed 'General case' 0 N--CA 1.503 2.222 0 CA-C-N 118.511 1.155 . . . . 1.62 110.719 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.19 -8.91 36.03 Favored Glycine 0 N--CA 1.494 2.553 0 C-N-CA 120.555 -0.831 . . . . 0.26 112.912 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 29.4 mtm105 -126.58 -20.13 4.41 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 113.33 0.863 . . . . 9.68 113.33 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -101.36 111.69 24.0 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 122.975 1.369 . . . . 0.12 110.337 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 13.4 m-85 -127.11 168.18 15.54 Favored Pre-proline 0 C--N 1.298 -1.666 0 N-CA-C 104.967 -2.235 . . . . 1.95 104.967 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -61.01 161.01 23.66 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.781 1.654 . . . . 0.24 109.589 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -131.33 163.34 28.07 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.456 -1.683 . . . . 4.98 106.456 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -68.33 106.21 2.41 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.048 -1.834 . . . . 12.72 106.048 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.03 -8.09 9.91 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.751 -1.34 . . . . 0.31 109.751 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -102.48 165.97 10.8 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 107.169 -1.419 . . . . 2.84 107.169 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -108.21 158.34 17.53 Favored 'General case' 0 C--N 1.288 -2.09 1 N-CA-C 99.48 -4.267 . . . . 0.53 99.48 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' LYS . 61.1 m -115.72 148.97 39.17 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 100.984 -3.709 . . . . 0.16 100.984 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.5 t -124.93 111.42 27.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 1 N-CA-C 99.747 -4.168 . . . . 0.09 99.747 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.401 HG22 ' CZ3' ' A' ' 59' ' ' TRP . 19.8 m -126.28 151.73 32.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 125.945 2.028 . . . . 0.09 113.972 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -122.17 126.77 49.02 Favored 'General case' 0 N--CA 1.495 1.788 1 N-CA-C 97.991 -4.818 . . . . 1.81 97.991 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 100' ' ' ASP . 55.4 p90 -146.25 169.51 18.63 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 122.903 1.335 . . . . 1.67 113.945 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 99' ' ' PHE . 8.8 m -127.27 129.89 48.56 Favored 'General case' 0 C--N 1.288 -2.075 1 N-CA-C 98.72 -4.548 . . . . 0.15 98.72 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 37' ' ' ASP . . . -117.35 109.55 1.89 Allowed Glycine 0 N--CA 1.489 2.196 1 N-CA-C 99.972 -5.251 . . . . 0.37 99.972 179.308 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.0 ttm -121.83 166.07 14.92 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 105.257 -2.127 . . . . 3.79 105.257 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -110.36 146.41 35.84 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 105.679 -1.971 . . . . 1.27 105.679 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.488 ' CG ' ' HB ' ' A' ' 96' ' ' THR . 34.8 mt-10 -19.01 -59.33 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.9 0 O-C-N 127.864 3.227 . . . . 7.77 115.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -140.03 20.51 2.46 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 125.213 1.571 . . . . 8.38 114.456 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.08 -75.26 0.51 Allowed Glycine 0 N--CA 1.494 2.539 0 C-N-CA 116.779 -2.629 . . . . 2.84 115.04 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.63 -168.26 2.08 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 117.701 -1.6 . . . . 11.87 112.233 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -90.81 138.31 31.68 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 104.934 -2.247 . . . . 9.51 104.934 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.507 ' CZ ' HD23 ' A' ' 97' ' ' LEU . 9.1 p90 -129.61 -39.94 1.43 Allowed 'General case' 0 C--N 1.29 -2.001 0 O-C-N 125.647 1.842 . . . . 1.84 106.469 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -113.92 91.87 3.78 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 125.109 1.506 . . . . 2.66 109.419 -179.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 m -124.64 147.76 48.33 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 118.711 -2.493 . . . . 1.0 108.301 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.3 p -106.1 73.75 1.01 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.704 0.764 . . . . 2.02 110.149 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.67 50.61 0.85 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 103.925 -2.62 . . . . 40.28 103.925 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.15 99.71 4.05 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 111.971 -2.377 . . . . 29.2 107.393 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.487 ' HA ' ' NH2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -17.91 -76.87 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.775 0 CA-C-N 113.18 -1.827 . . . . 68.65 113.336 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -112.35 12.92 20.25 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 116.115 1.894 . . . . 20.71 116.115 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -157.24 79.38 3.57 Favored Pre-proline 0 N--CA 1.508 2.44 0 CA-C-N 121.999 2.181 . . . . 14.87 116.092 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -36.64 157.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.264 0 CA-C-N 121.671 1.632 . . . . 0.88 114.933 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -57.72 149.84 21.08 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 110.621 -2.99 . . . . 0.51 113.253 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 39.7 mttp -145.75 154.17 41.75 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 106.985 -1.487 . . . . 3.76 106.985 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -160.39 178.23 9.79 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.043 -1.836 . . . . 1.57 106.043 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 48.9 ttm -118.45 151.92 36.88 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.578 -0.897 . . . . 2.45 108.578 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.8 tp -90.84 124.66 35.34 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.729 -1.123 . . . . 0.33 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.73 6.42 49.71 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 110.555 -1.018 . . . . 0.94 110.555 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -121.78 6.34 9.93 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.504 -0.925 . . . . 8.93 108.504 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 38.6 54.96 1.92 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 123.794 0.684 . . . . 5.97 112.733 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -89.76 -5.22 57.18 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 107.996 -1.113 . . . . 6.35 107.996 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.9 m -128.89 -179.11 2.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 105.839 -1.912 . . . . 0.29 105.839 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.2 pt -81.34 166.91 2.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 106.307 -1.738 . . . . 0.31 106.307 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' TRP . 29.8 ttm-85 -52.33 -59.68 4.12 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.324 -0.991 . . . . 9.62 108.324 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -33.13 -35.88 0.04 OUTLIER Glycine 0 N--CA 1.491 2.356 0 O-C-N 124.41 1.069 . . . . 0.08 112.006 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.401 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 3.4 m95 -86.91 -55.57 3.78 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 112.788 0.662 . . . . 0.12 112.788 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -50.09 -44.95 52.19 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 106.959 -1.497 . . . . 3.9 106.959 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.37 -67.76 0.46 Allowed 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 124.627 2.156 . . . . 3.69 109.035 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -43.19 -60.77 2.97 Favored Glycine 0 N--CA 1.484 1.834 0 CA-C-N 111.875 -2.421 . . . . 0.07 114.447 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.58 -38.75 83.43 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 113.836 -1.182 . . . . 0.06 110.462 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.97 -29.76 70.46 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 118.214 -1.394 . . . . 0.1 108.0 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -83.31 10.54 8.34 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 112.863 -1.971 . . . . 0.08 111.286 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 97.5 mtp -120.43 154.07 35.69 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 107.22 -1.4 . . . . 1.77 107.22 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 6.3 p -106.58 164.51 12.01 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 122.721 1.248 . . . . 0.07 110.423 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.3 t -54.62 112.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-N 112.843 -1.98 . . . . 0.06 108.84 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.4 13.72 53.05 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 109.746 -1.342 . . . . 0.06 109.746 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -105.34 144.29 32.33 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.194 -1.41 . . . . 1.59 107.194 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.555 ' HD3' ' CD ' ' A' ' 102' ' ' GLU . 11.7 ttp180 -128.92 140.08 51.83 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 104.722 -2.325 . . . . 6.18 104.722 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.94 166.18 28.47 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 126.072 2.107 . . . . 0.04 108.464 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.538 ' NZ ' ' CD ' ' A' ' 5' ' ' GLU . 3.5 ttpm? -116.65 111.55 20.0 Favored 'General case' 0 C--N 1.291 -1.967 1 N-CA-C 94.111 -6.255 . . . . 4.65 94.111 179.46 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.0 mt -101.71 147.36 26.55 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 103.788 -2.671 . . . . 1.04 103.788 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.7 m -118.71 130.61 55.92 Favored 'General case' 0 C--N 1.287 -2.151 1 N-CA-C 97.418 -5.031 . . . . 0.11 97.418 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.0 mt -119.43 152.05 21.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 105.458 -2.053 . . . . 0.08 105.458 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.551 ' OG ' ' CA ' ' A' ' 1' ' ' GLY . 8.5 p -115.11 165.04 15.02 Favored Pre-proline 0 C--N 1.289 -2.058 0 CA-C-N 113.971 -1.468 . . . . 0.5 108.366 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -41.59 -54.85 2.55 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 123.029 2.486 . . . . 0.31 112.015 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.407 ' OD2' ' CA ' ' A' ' 1' ' ' GLY . 5.6 p-10 -50.34 -29.46 9.97 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 113.812 -1.54 . . . . 1.63 112.162 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.42 ' CE2' HG11 ' A' ' 2' ' ' VAL . 5.1 m-85 -112.91 3.71 16.45 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 118.472 -0.775 . . . . 1.77 111.478 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.44 -115.52 0.33 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 123.705 0.628 . . . . 2.03 110.007 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.456 ' CE2' HD13 ' A' ' 97' ' ' LEU . 40.6 m-85 -114.16 58.7 0.68 Allowed 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 104.481 -2.414 . . . . 3.42 104.481 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 14.94 -91.2 0.01 OUTLIER Glycine 0 N--CA 1.498 2.778 0 N-CA-C 117.41 1.724 . . . . 4.82 117.41 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.15 -38.03 2.36 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.411 0.624 . . . . 6.86 111.112 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -89.48 92.5 9.14 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.513 -1.221 . . . . 12.67 107.859 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.78 -159.71 28.67 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 104.152 -3.579 . . . . 5.68 104.152 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 91' ' ' ILE . 45.9 t60 -115.36 115.79 42.17 Favored Pre-proline 0 C--N 1.303 -1.431 0 N-CA-C 105.961 -1.866 . . . . 18.56 105.961 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -57.11 87.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 123.701 2.934 . . . . 8.0 112.365 -167.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.53 -37.32 1.47 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.067 -1.613 . . . . 3.19 109.067 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.4 mt -96.15 -58.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 103.533 -2.766 . . . . 2.0 103.533 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.452 HD11 ' CE2' ' A' ' 82' ' ' TYR . 3.2 mt -128.57 94.0 36.41 Favored Pre-proline 0 C--N 1.295 -1.794 0 N-CA-C 102.28 -3.23 . . . . 1.41 102.28 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -56.55 170.52 1.26 Allowed 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 121.597 1.531 . . . . 1.58 108.624 160.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -58.56 170.44 2.5 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.084 1.189 . . . . 1.94 111.257 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.5 m80 18.42 57.72 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 O-C-N 125.435 1.709 . . . . 11.93 115.491 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.77 142.69 43.8 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 102.234 -3.247 . . . . 1.5 102.234 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.488 ' HB ' ' CG ' ' A' ' 31' ' ' GLU . 8.7 m -90.67 146.51 23.96 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 102.781 -3.044 . . . . 0.22 102.781 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.507 HD23 ' CZ ' ' A' ' 36' ' ' PHE . 37.4 mt -112.62 148.04 35.43 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 105.215 -2.143 . . . . 0.3 105.215 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.0 t -124.66 131.21 72.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 100.341 -3.948 . . . . 0.21 100.341 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' A' ' 27' ' ' THR . 41.4 m-85 -127.91 110.14 12.27 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 124.099 0.874 . . . . 1.18 111.932 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 2.5 m-20 -87.68 98.86 11.67 Favored 'General case' 0 C--N 1.29 -1.999 1 N-CA-C 97.728 -4.916 . . . . 1.74 97.728 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.409 ' CG2' ' HB3' ' A' ' 99' ' ' PHE . 12.2 t -111.74 146.18 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 CA-C-O 121.592 0.71 . . . . 0.05 110.287 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.555 ' CD ' ' HD3' ' A' ' 71' ' ' ARG . 27.3 tt0 -122.58 127.15 49.07 Favored 'General case' 0 C--N 1.296 -1.749 1 N-CA-C 100.073 -4.047 . . . . 1.73 100.073 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.9 tp -94.61 112.98 24.73 Favored 'General case' 0 N--CA 1.498 1.964 1 N-CA-C 97.271 -5.085 . . . . 0.04 97.271 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.1 mt -79.85 -55.41 5.0 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 125.405 1.691 . . . . 0.34 110.04 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.482 ' HG2' ' H ' ' A' ' 106' ' ' LEU . 38.4 tttm -171.15 179.79 2.93 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.458 -1.682 . . . . 7.5 106.458 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.482 ' H ' ' HG2' ' A' ' 105' ' ' LYS . 68.9 mt -107.55 156.72 18.7 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 101.976 -3.342 . . . . 0.44 101.976 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--N 1.286 -2.194 1 N-CA-C 92.836 -6.727 . . . . 6.58 92.836 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.551 ' CA ' ' OG ' ' A' ' 77' ' ' SER . . . . . . . . 0 C--O 1.213 -1.183 0 N-CA-C 116.294 1.278 . . . . 1.72 116.294 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.47 HG12 ' CE2' ' A' ' 80' ' ' TYR . 9.2 p -72.76 150.81 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 113.579 0.955 . . . . 0.050000000000000003 113.579 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -129.56 152.39 49.14 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 103.083 -2.932 . . . . 6.21 103.083 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -122.9 108.62 21.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.071 -1.085 . . . . 0.12 108.071 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.538 ' CD ' ' NZ ' ' A' ' 73' ' ' LYS . 37.8 mt-10 -110.21 89.31 2.99 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 103.749 -2.686 . . . . 6.3899999999999997 103.749 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.1 m -69.34 155.0 41.15 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 114.466 -1.243 . . . . 0.080000000000000002 108.916 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.6 mt -118.33 -57.81 3.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 102.358 -3.201 . . . . 0.13 102.358 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 2.5 t -113.28 114.03 48.41 Favored Pre-proline 0 C--N 1.302 -1.461 1 N-CA-C 99.922 -4.103 . . . . 1.46 99.922 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -57.04 167.76 2.99 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 121.213 1.275 . . . . 0.089999999999999997 109.12 163.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.26 -175.12 18.32 Favored Glycine 0 N--CA 1.494 2.552 1 N-CA-C 102.938 -4.065 . . . . 0.27000000000000002 102.938 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 13' ' ' ARG . 1.2 p-10 -39.58 -45.19 1.58 Allowed 'General case' 0 N--CA 1.503 2.222 0 CA-C-N 118.511 1.155 . . . . 1.6200000000000001 110.719 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.19 -8.91 36.03 Favored Glycine 0 N--CA 1.494 2.553 0 C-N-CA 120.555 -0.831 . . . . 0.26000000000000001 112.912 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 29.4 mtm105 -126.58 -20.13 4.41 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 113.33 0.863 . . . . 9.6799999999999997 113.33 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -101.36 111.69 24.0 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 122.975 1.369 . . . . 0.12 110.337 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 67' ' ' SER . 13.4 m-85 -127.11 168.18 15.54 Favored Pre-proline 0 C--N 1.298 -1.666 0 N-CA-C 104.967 -2.235 . . . . 1.95 104.967 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -61.01 161.01 23.66 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.781 1.654 . . . . 0.23999999999999999 109.589 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -131.33 163.34 28.07 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.456 -1.683 . . . . 4.9800000000000004 106.456 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -68.33 106.21 2.41 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.048 -1.834 . . . . 12.720000000000001 106.048 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.03 -8.09 9.91 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.751 -1.34 . . . . 0.31 109.751 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -102.48 165.97 10.8 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 107.169 -1.419 . . . . 2.8399999999999999 107.169 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -108.21 158.34 17.53 Favored 'General case' 0 C--N 1.288 -2.09 1 N-CA-C 99.48 -4.267 . . . . 0.53000000000000003 99.48 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 47' ' ' LYS . 61.1 m -115.72 148.97 39.17 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 100.984 -3.709 . . . . 0.16 100.984 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.5 t -124.93 111.42 27.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 1 N-CA-C 99.747 -4.168 . . . . 0.089999999999999997 99.747 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.421 HG21 ' CZ3' ' A' ' 59' ' ' TRP . 19.8 m -126.28 151.73 32.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 125.945 2.028 . . . . 0.089999999999999997 113.972 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' HB2' HD11 ' A' ' 104' ' ' LEU . 4.8 t-80 -122.17 126.77 49.02 Favored 'General case' 0 N--CA 1.495 1.788 1 N-CA-C 97.991 -4.818 . . . . 1.8100000000000001 97.991 179.324 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 100' ' ' ASP . 55.4 p90 -146.25 169.51 18.63 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 122.903 1.335 . . . . 1.6699999999999999 113.945 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 99' ' ' PHE . 8.8 m -127.27 129.89 48.56 Favored 'General case' 0 C--N 1.288 -2.075 1 N-CA-C 98.72 -4.548 . . . . 0.14999999999999999 98.72 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 37' ' ' ASP . . . -117.35 109.55 1.89 Allowed Glycine 0 N--CA 1.489 2.196 1 N-CA-C 99.972 -5.251 . . . . 0.37 99.972 179.308 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.0 ttm -121.83 166.07 14.92 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 105.257 -2.127 . . . . 3.79 105.257 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -110.36 146.41 35.84 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 105.679 -1.971 . . . . 1.27 105.679 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' CG ' ' HB ' ' A' ' 96' ' ' THR . 34.8 mt-10 -19.01 -59.33 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.9 0 O-C-N 127.864 3.227 . . . . 7.7699999999999996 115.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -140.03 20.51 2.46 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 125.213 1.571 . . . . 8.3800000000000008 114.456 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.08 -75.26 0.51 Allowed Glycine 0 N--CA 1.494 2.539 0 C-N-CA 116.779 -2.629 . . . . 2.8399999999999999 115.04 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.63 -168.26 2.08 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 117.701 -1.6 . . . . 11.869999999999999 112.233 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -90.81 138.31 31.68 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 104.934 -2.247 . . . . 9.5099999999999998 104.934 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CZ ' HD22 ' A' ' 97' ' ' LEU . 9.1 p90 -129.61 -39.94 1.43 Allowed 'General case' 0 C--N 1.29 -2.001 0 O-C-N 125.647 1.842 . . . . 1.8400000000000001 106.469 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -113.92 91.87 3.78 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 125.109 1.506 . . . . 2.6600000000000001 109.419 -179.54 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 m -124.64 147.76 48.33 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 118.711 -2.493 . . . . 1.0 108.301 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 77.3 p -106.1 73.75 1.01 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.704 0.764 . . . . 2.02 110.149 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.67 50.61 0.85 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 103.925 -2.62 . . . . 40.280000000000001 103.925 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.15 99.71 4.05 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 111.971 -2.377 . . . . 29.199999999999999 107.393 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.553 ' HA ' ' NH2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -17.91 -76.87 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.775 0 CA-C-N 113.18 -1.827 . . . . 68.650000000000006 113.336 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -112.35 12.92 20.25 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 116.115 1.894 . . . . 20.710000000000001 116.115 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -157.24 79.38 3.57 Favored Pre-proline 0 N--CA 1.508 2.44 0 CA-C-N 121.999 2.181 . . . . 14.869999999999999 116.092 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -36.64 157.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.264 0 CA-C-N 121.671 1.632 . . . . 0.88 114.933 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -57.72 149.84 21.08 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 110.621 -2.99 . . . . 0.51000000000000001 113.253 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 39.7 mttp -145.75 154.17 41.75 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 106.985 -1.487 . . . . 3.7599999999999998 106.985 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -160.39 178.23 9.79 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.043 -1.836 . . . . 1.5700000000000001 106.043 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 48.9 ttm -118.45 151.92 36.88 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.578 -0.897 . . . . 2.4500000000000002 108.578 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.8 tp -90.84 124.66 35.34 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.729 -1.123 . . . . 0.33000000000000002 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.73 6.42 49.71 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 110.555 -1.018 . . . . 0.93999999999999995 110.555 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -121.78 6.34 9.93 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.504 -0.925 . . . . 8.9299999999999997 108.504 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 38.6 54.96 1.92 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 123.794 0.684 . . . . 5.9699999999999998 112.733 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -89.76 -5.22 57.18 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 107.996 -1.113 . . . . 6.3499999999999996 107.996 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.9 m -128.89 -179.11 2.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 105.839 -1.912 . . . . 0.28999999999999998 105.839 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.2 pt -81.34 166.91 2.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 106.307 -1.738 . . . . 0.31 106.307 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' TRP . 29.8 ttm-85 -52.33 -59.68 4.12 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.324 -0.991 . . . . 9.6199999999999992 108.324 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -33.13 -35.88 0.04 OUTLIER Glycine 0 N--CA 1.491 2.356 0 O-C-N 124.41 1.069 . . . . 0.080000000000000002 112.006 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.421 ' CZ3' HG21 ' A' ' 24' ' ' VAL . 3.4 m95 -86.91 -55.57 3.78 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 112.788 0.662 . . . . 0.12 112.788 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -50.09 -44.95 52.19 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 106.959 -1.497 . . . . 3.8999999999999999 106.959 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.37 -67.76 0.46 Allowed 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 124.627 2.156 . . . . 3.6899999999999999 109.035 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -43.19 -60.77 2.97 Favored Glycine 0 N--CA 1.484 1.834 0 CA-C-N 111.875 -2.421 . . . . 0.070000000000000007 114.447 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.58 -38.75 83.43 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 113.836 -1.182 . . . . 0.059999999999999998 110.462 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.97 -29.76 70.46 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 118.214 -1.394 . . . . 0.10000000000000001 108.0 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -83.31 10.54 8.34 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 112.863 -1.971 . . . . 0.080000000000000002 111.286 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 97.5 mtp -120.43 154.07 35.69 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 107.22 -1.4 . . . . 1.77 107.22 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 6.3 p -106.58 164.51 12.01 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 122.721 1.248 . . . . 0.070000000000000007 110.423 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.3 t -54.62 112.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-N 112.843 -1.98 . . . . 0.059999999999999998 108.84 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.4 13.72 53.05 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 109.746 -1.342 . . . . 0.059999999999999998 109.746 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 8' ' ' SER . 38.5 tt0 -105.34 144.29 32.33 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.194 -1.41 . . . . 1.5900000000000001 107.194 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.642 ' HD3' ' CD ' ' A' ' 102' ' ' GLU . 11.7 ttp180 -128.92 140.08 51.83 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 104.722 -2.325 . . . . 6.1799999999999997 104.722 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.94 166.18 28.47 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 126.072 2.107 . . . . 0.040000000000000001 108.464 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.538 ' NZ ' ' CD ' ' A' ' 5' ' ' GLU . 3.5 ttpm? -116.65 111.55 20.0 Favored 'General case' 0 C--N 1.291 -1.967 1 N-CA-C 94.111 -6.255 . . . . 4.6500000000000004 94.111 179.46 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.0 mt -101.71 147.36 26.55 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 103.788 -2.671 . . . . 1.04 103.788 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 2' ' ' VAL . 86.7 m -118.71 130.61 55.92 Favored 'General case' 0 C--N 1.287 -2.151 1 N-CA-C 97.418 -5.031 . . . . 0.11 97.418 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.0 mt -119.43 152.05 21.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 105.458 -2.053 . . . . 0.080000000000000002 105.458 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.551 ' OG ' ' CA ' ' A' ' 1' ' ' GLY . 8.5 p -115.11 165.04 15.02 Favored Pre-proline 0 C--N 1.289 -2.058 0 CA-C-N 113.971 -1.468 . . . . 0.5 108.366 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -41.59 -54.85 2.55 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 123.029 2.486 . . . . 0.31 112.015 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.407 ' OD2' ' CA ' ' A' ' 1' ' ' GLY . 5.6 p-10 -50.34 -29.46 9.97 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 113.812 -1.54 . . . . 1.6299999999999999 112.162 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.47 ' CE2' HG12 ' A' ' 2' ' ' VAL . 5.1 m-85 -112.91 3.71 16.45 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 118.472 -0.775 . . . . 1.77 111.478 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.44 -115.52 0.33 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 123.705 0.628 . . . . 2.0299999999999998 110.007 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CE2' HD11 ' A' ' 97' ' ' LEU . 40.6 m-85 -114.16 58.7 0.68 Allowed 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 104.481 -2.414 . . . . 3.4199999999999999 104.481 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 14.94 -91.2 0.01 OUTLIER Glycine 0 N--CA 1.498 2.778 0 N-CA-C 117.41 1.724 . . . . 4.8200000000000003 117.41 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.15 -38.03 2.36 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.411 0.624 . . . . 6.8600000000000003 111.112 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -89.48 92.5 9.14 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.513 -1.221 . . . . 12.67 107.859 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.78 -159.71 28.67 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 104.152 -3.579 . . . . 5.6799999999999997 104.152 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 91' ' ' ILE . 45.9 t60 -115.36 115.79 42.17 Favored Pre-proline 0 C--N 1.303 -1.431 0 N-CA-C 105.961 -1.866 . . . . 18.559999999999999 105.961 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -57.11 87.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 123.701 2.934 . . . . 8.0 112.365 -167.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.53 -37.32 1.47 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.067 -1.613 . . . . 3.1899999999999999 109.067 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.4 mt -96.15 -58.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 103.533 -2.766 . . . . 2.0 103.533 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.484 HD13 ' CE2' ' A' ' 82' ' ' TYR . 3.2 mt -128.57 94.0 36.41 Favored Pre-proline 0 C--N 1.295 -1.794 0 N-CA-C 102.28 -3.23 . . . . 1.4099999999999999 102.28 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -56.55 170.52 1.26 Allowed 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 121.597 1.531 . . . . 1.5800000000000001 108.624 160.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -58.56 170.44 2.5 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.084 1.189 . . . . 1.9399999999999999 111.257 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.5 m80 18.42 57.72 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 O-C-N 125.435 1.709 . . . . 11.93 115.491 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.77 142.69 43.8 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 102.234 -3.247 . . . . 1.5 102.234 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.457 ' HB ' ' CG ' ' A' ' 31' ' ' GLU . 8.7 m -90.67 146.51 23.96 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 102.781 -3.044 . . . . 0.22 102.781 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.553 HD22 ' CZ ' ' A' ' 36' ' ' PHE . 37.4 mt -112.62 148.04 35.43 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 105.215 -2.143 . . . . 0.29999999999999999 105.215 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.0 t -124.66 131.21 72.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 100.341 -3.948 . . . . 0.20999999999999999 100.341 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.456 ' HB3' ' CG2' ' A' ' 101' ' ' VAL . 41.4 m-85 -127.91 110.14 12.27 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 124.099 0.874 . . . . 1.1799999999999999 111.932 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 2.5 m-20 -87.68 98.86 11.67 Favored 'General case' 0 C--N 1.29 -1.999 1 N-CA-C 97.728 -4.916 . . . . 1.74 97.728 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 99' ' ' PHE . 12.2 t -111.74 146.18 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 CA-C-O 121.592 0.71 . . . . 0.050000000000000003 110.287 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.642 ' CD ' ' HD3' ' A' ' 71' ' ' ARG . 27.3 tt0 -122.58 127.15 49.07 Favored 'General case' 0 C--N 1.296 -1.749 1 N-CA-C 100.073 -4.047 . . . . 1.73 100.073 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.9 tp -94.61 112.98 24.73 Favored 'General case' 0 N--CA 1.498 1.964 1 N-CA-C 97.271 -5.085 . . . . 0.040000000000000001 97.271 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 25' ' ' HIS . 22.1 mt -79.85 -55.41 5.0 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 125.405 1.691 . . . . 0.34000000000000002 110.04 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.522 ' HG2' ' H ' ' A' ' 106' ' ' LEU . 38.4 tttm -171.15 179.79 2.93 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.458 -1.682 . . . . 7.5 106.458 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.522 ' H ' ' HG2' ' A' ' 105' ' ' LYS . 68.9 mt -107.55 156.72 18.7 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 101.976 -3.342 . . . . 0.44 101.976 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--N 1.286 -2.194 1 N-CA-C 92.836 -6.727 . . . . 6.5800000000000001 92.836 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.551 ' CA ' ' OG ' ' A' ' 77' ' ' SER . . . . . . . . 0 C--O 1.213 -1.183 0 N-CA-C 116.294 1.278 . . . . 1.72 116.294 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.47 HG12 ' CE2' ' A' ' 80' ' ' TYR . 9.2 p -72.76 150.81 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 113.579 0.955 . . . . 0.05 113.579 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -129.56 152.39 49.14 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 103.083 -2.932 . . . . 6.21 103.083 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -122.9 108.62 21.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.071 -1.085 . . . . 0.12 108.071 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.538 ' CD ' ' NZ ' ' A' ' 73' ' ' LYS . 37.8 mt-10 -110.21 89.31 2.99 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 103.749 -2.686 . . . . 6.39 103.749 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.1 m -69.34 155.0 41.15 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 114.466 -1.243 . . . . 0.08 108.916 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.6 mt -118.33 -57.81 3.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 102.358 -3.201 . . . . 0.13 102.358 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 2.5 t -113.28 114.03 48.41 Favored Pre-proline 0 C--N 1.302 -1.461 1 N-CA-C 99.922 -4.103 . . . . 1.46 99.922 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -57.04 167.76 2.99 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 121.213 1.275 . . . . 0.09 109.12 163.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.26 -175.12 18.32 Favored Glycine 0 N--CA 1.494 2.552 1 N-CA-C 102.938 -4.065 . . . . 0.27 102.938 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 13' ' ' ARG . 1.2 p-10 -39.58 -45.19 1.58 Allowed 'General case' 0 N--CA 1.503 2.222 0 CA-C-N 118.511 1.155 . . . . 1.62 110.719 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.19 -8.91 36.03 Favored Glycine 0 N--CA 1.494 2.553 0 C-N-CA 120.555 -0.831 . . . . 0.26 112.912 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 29.4 mtm105 -126.58 -20.13 4.41 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 113.33 0.863 . . . . 9.68 113.33 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -101.36 111.69 24.0 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 122.975 1.369 . . . . 0.12 110.337 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 67' ' ' SER . 13.4 m-85 -127.11 168.18 15.54 Favored Pre-proline 0 C--N 1.298 -1.666 0 N-CA-C 104.967 -2.235 . . . . 1.95 104.967 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -61.01 161.01 23.66 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.781 1.654 . . . . 0.24 109.589 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -131.33 163.34 28.07 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.456 -1.683 . . . . 4.98 106.456 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -68.33 106.21 2.41 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.048 -1.834 . . . . 12.72 106.048 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.03 -8.09 9.91 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.751 -1.34 . . . . 0.31 109.751 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 20' ' ' GLN . 6.1 mm100 -102.48 165.97 10.8 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 107.169 -1.419 . . . . 2.84 107.169 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -108.21 158.34 17.53 Favored 'General case' 0 C--N 1.288 -2.09 1 N-CA-C 99.48 -4.267 . . . . 0.53 99.48 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 47' ' ' LYS . 61.1 m -115.72 148.97 39.17 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 100.984 -3.709 . . . . 0.16 100.984 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.5 t -124.93 111.42 27.89 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 1 N-CA-C 99.747 -4.168 . . . . 0.09 99.747 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.421 HG21 ' CZ3' ' A' ' 59' ' ' TRP . 19.8 m -126.28 151.73 32.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 125.945 2.028 . . . . 0.09 113.972 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' HB2' HD11 ' A' ' 104' ' ' LEU . 4.8 t-80 -122.17 126.77 49.02 Favored 'General case' 0 N--CA 1.495 1.788 1 N-CA-C 97.991 -4.818 . . . . 1.81 97.991 179.324 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 100' ' ' ASP . 55.4 p90 -146.25 169.51 18.63 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 122.903 1.335 . . . . 1.67 113.945 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 99' ' ' PHE . 8.8 m -127.27 129.89 48.56 Favored 'General case' 0 C--N 1.288 -2.075 1 N-CA-C 98.72 -4.548 . . . . 0.15 98.72 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 37' ' ' ASP . . . -117.35 109.55 1.89 Allowed Glycine 0 N--CA 1.489 2.196 1 N-CA-C 99.972 -5.251 . . . . 0.37 99.972 179.308 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.0 ttm -121.83 166.07 14.92 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 105.257 -2.127 . . . . 3.79 105.257 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -110.36 146.41 35.84 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 105.679 -1.971 . . . . 1.27 105.679 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' CG ' ' HB ' ' A' ' 96' ' ' THR . 34.8 mt-10 -19.01 -59.33 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.9 0 O-C-N 127.864 3.227 . . . . 7.77 115.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -140.03 20.51 2.46 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 125.213 1.571 . . . . 8.38 114.456 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.08 -75.26 0.51 Allowed Glycine 0 N--CA 1.494 2.539 0 C-N-CA 116.779 -2.629 . . . . 2.84 115.04 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.63 -168.26 2.08 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 117.701 -1.6 . . . . 11.87 112.233 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -90.81 138.31 31.68 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 104.934 -2.247 . . . . 9.51 104.934 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CZ ' HD22 ' A' ' 97' ' ' LEU . 9.1 p90 -129.61 -39.94 1.43 Allowed 'General case' 0 C--N 1.29 -2.001 0 O-C-N 125.647 1.842 . . . . 1.84 106.469 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -113.92 91.87 3.78 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 125.109 1.506 . . . . 2.66 109.419 -179.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 m -124.64 147.76 48.33 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 118.711 -2.493 . . . . 1.0 108.301 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 77.3 p -106.1 73.75 1.01 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.704 0.764 . . . . 2.02 110.149 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.67 50.61 0.85 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 103.925 -2.62 . . . . 40.28 103.925 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.15 99.71 4.05 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 111.971 -2.377 . . . . 29.2 107.393 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.553 ' HA ' ' NH2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -17.91 -76.87 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.775 0 CA-C-N 113.18 -1.827 . . . . 68.65 113.336 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -112.35 12.92 20.25 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 116.115 1.894 . . . . 20.71 116.115 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -157.24 79.38 3.57 Favored Pre-proline 0 N--CA 1.508 2.44 0 CA-C-N 121.999 2.181 . . . . 14.87 116.092 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -36.64 157.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.264 0 CA-C-N 121.671 1.632 . . . . 0.88 114.933 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -57.72 149.84 21.08 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 110.621 -2.99 . . . . 0.51 113.253 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 39.7 mttp -145.75 154.17 41.75 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 106.985 -1.487 . . . . 3.76 106.985 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -160.39 178.23 9.79 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.043 -1.836 . . . . 1.57 106.043 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 48.9 ttm -118.45 151.92 36.88 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.578 -0.897 . . . . 2.45 108.578 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.8 tp -90.84 124.66 35.34 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.729 -1.123 . . . . 0.33 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.73 6.42 49.71 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 110.555 -1.018 . . . . 0.94 110.555 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -121.78 6.34 9.93 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.504 -0.925 . . . . 8.93 108.504 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 38.6 54.96 1.92 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 123.794 0.684 . . . . 5.97 112.733 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -89.76 -5.22 57.18 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 107.996 -1.113 . . . . 6.35 107.996 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.9 m -128.89 -179.11 2.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 105.839 -1.912 . . . . 0.29 105.839 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.2 pt -81.34 166.91 2.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 106.307 -1.738 . . . . 0.31 106.307 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' TRP . 29.8 ttm-85 -52.33 -59.68 4.12 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.324 -0.991 . . . . 9.62 108.324 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -33.13 -35.88 0.04 OUTLIER Glycine 0 N--CA 1.491 2.356 0 O-C-N 124.41 1.069 . . . . 0.08 112.006 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.421 ' CZ3' HG21 ' A' ' 24' ' ' VAL . 3.4 m95 -86.91 -55.57 3.78 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 112.788 0.662 . . . . 0.12 112.788 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -50.09 -44.95 52.19 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 106.959 -1.497 . . . . 3.9 106.959 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.37 -67.76 0.46 Allowed 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 124.627 2.156 . . . . 3.69 109.035 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -43.19 -60.77 2.97 Favored Glycine 0 N--CA 1.484 1.834 0 CA-C-N 111.875 -2.421 . . . . 0.07 114.447 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.58 -38.75 83.43 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 113.836 -1.182 . . . . 0.06 110.462 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.97 -29.76 70.46 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 118.214 -1.394 . . . . 0.1 108.0 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.43 HE21 ' HB2' ' A' ' 65' ' ' GLN . 7.5 tt0 -83.31 10.54 8.34 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 112.863 -1.971 . . . . 0.08 111.286 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 97.5 mtp -120.43 154.07 35.69 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 107.22 -1.4 . . . . 1.77 107.22 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 6.3 p -106.58 164.51 12.01 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 122.721 1.248 . . . . 0.07 110.423 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.3 t -54.62 112.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-N 112.843 -1.98 . . . . 0.06 108.84 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.4 13.72 53.05 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 109.746 -1.342 . . . . 0.06 109.746 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 8' ' ' SER . 38.5 tt0 -105.34 144.29 32.33 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.194 -1.41 . . . . 1.59 107.194 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.642 ' HD3' ' CD ' ' A' ' 102' ' ' GLU . 11.7 ttp180 -128.92 140.08 51.83 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 104.722 -2.325 . . . . 6.18 104.722 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.94 166.18 28.47 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 126.072 2.107 . . . . 0.04 108.464 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.538 ' NZ ' ' CD ' ' A' ' 5' ' ' GLU . 3.5 ttpm? -116.65 111.55 20.0 Favored 'General case' 0 C--N 1.291 -1.967 1 N-CA-C 94.111 -6.255 . . . . 4.65 94.111 179.46 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.0 mt -101.71 147.36 26.55 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 103.788 -2.671 . . . . 1.04 103.788 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 2' ' ' VAL . 86.7 m -118.71 130.61 55.92 Favored 'General case' 0 C--N 1.287 -2.151 1 N-CA-C 97.418 -5.031 . . . . 0.11 97.418 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.0 mt -119.43 152.05 21.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 105.458 -2.053 . . . . 0.08 105.458 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.551 ' OG ' ' CA ' ' A' ' 1' ' ' GLY . 8.5 p -115.11 165.04 15.02 Favored Pre-proline 0 C--N 1.289 -2.058 0 CA-C-N 113.971 -1.468 . . . . 0.5 108.366 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -41.59 -54.85 2.55 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 123.029 2.486 . . . . 0.31 112.015 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.407 ' OD2' ' CA ' ' A' ' 1' ' ' GLY . 5.6 p-10 -50.34 -29.46 9.97 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 113.812 -1.54 . . . . 1.63 112.162 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.47 ' CE2' HG12 ' A' ' 2' ' ' VAL . 5.1 m-85 -112.91 3.71 16.45 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 118.472 -0.775 . . . . 1.77 111.478 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.44 -115.52 0.33 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 123.705 0.628 . . . . 2.03 110.007 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CE2' HD11 ' A' ' 97' ' ' LEU . 40.6 m-85 -114.16 58.7 0.68 Allowed 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 104.481 -2.414 . . . . 3.42 104.481 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 14.94 -91.2 0.01 OUTLIER Glycine 0 N--CA 1.498 2.778 0 N-CA-C 117.41 1.724 . . . . 4.82 117.41 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.15 -38.03 2.36 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.411 0.624 . . . . 6.86 111.112 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -89.48 92.5 9.14 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.513 -1.221 . . . . 12.67 107.859 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.78 -159.71 28.67 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 104.152 -3.579 . . . . 5.68 104.152 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 91' ' ' ILE . 45.9 t60 -115.36 115.79 42.17 Favored Pre-proline 0 C--N 1.303 -1.431 0 N-CA-C 105.961 -1.866 . . . . 18.56 105.961 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -57.11 87.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 123.701 2.934 . . . . 8.0 112.365 -167.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.53 -37.32 1.47 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.067 -1.613 . . . . 3.19 109.067 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.4 mt -96.15 -58.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 103.533 -2.766 . . . . 2.0 103.533 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.484 HD13 ' CE2' ' A' ' 82' ' ' TYR . 3.2 mt -128.57 94.0 36.41 Favored Pre-proline 0 C--N 1.295 -1.794 0 N-CA-C 102.28 -3.23 . . . . 1.41 102.28 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -56.55 170.52 1.26 Allowed 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 121.597 1.531 . . . . 1.58 108.624 160.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -58.56 170.44 2.5 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.084 1.189 . . . . 1.94 111.257 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.5 m80 18.42 57.72 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 O-C-N 125.435 1.709 . . . . 11.93 115.491 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.77 142.69 43.8 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 102.234 -3.247 . . . . 1.5 102.234 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.457 ' HB ' ' CG ' ' A' ' 31' ' ' GLU . 8.7 m -90.67 146.51 23.96 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 102.781 -3.044 . . . . 0.22 102.781 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.553 HD22 ' CZ ' ' A' ' 36' ' ' PHE . 37.4 mt -112.62 148.04 35.43 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 105.215 -2.143 . . . . 0.3 105.215 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.0 t -124.66 131.21 72.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 100.341 -3.948 . . . . 0.21 100.341 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.456 ' HB3' ' CG2' ' A' ' 101' ' ' VAL . 41.4 m-85 -127.91 110.14 12.27 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 124.099 0.874 . . . . 1.18 111.932 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 2.5 m-20 -87.68 98.86 11.67 Favored 'General case' 0 C--N 1.29 -1.999 1 N-CA-C 97.728 -4.916 . . . . 1.74 97.728 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 99' ' ' PHE . 12.2 t -111.74 146.18 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 CA-C-O 121.592 0.71 . . . . 0.05 110.287 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.642 ' CD ' ' HD3' ' A' ' 71' ' ' ARG . 27.3 tt0 -122.58 127.15 49.07 Favored 'General case' 0 C--N 1.296 -1.749 1 N-CA-C 100.073 -4.047 . . . . 1.73 100.073 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.9 tp -94.61 112.98 24.73 Favored 'General case' 0 N--CA 1.498 1.964 1 N-CA-C 97.271 -5.085 . . . . 0.04 97.271 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 25' ' ' HIS . 22.1 mt -79.85 -55.41 5.0 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 125.405 1.691 . . . . 0.34 110.04 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.522 ' HG2' ' H ' ' A' ' 106' ' ' LEU . 38.4 tttm -171.15 179.79 2.93 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.458 -1.682 . . . . 7.5 106.458 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.522 ' H ' ' HG2' ' A' ' 105' ' ' LYS . 68.9 mt -107.55 156.72 18.7 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 101.976 -3.342 . . . . 0.44 101.976 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--N 1.286 -2.194 1 N-CA-C 92.836 -6.727 . . . . 6.58 92.836 179.59 . . . . . . . . 1 1 . 1 stop_ save_