data_1kx2_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 1kx2 _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 ' -3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 116.941 -1.504 . . . . 10.0 109.126 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -157.81 125.52 5.26 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.944 1.247 . . . . 10.0 110.967 -154.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 62' ' ' CYS . 4.4 tt -121.38 62.22 0.91 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 128.068 2.547 . . . . 10.0 108.517 -173.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -116.89 -19.24 9.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 115.178 1.547 . . . . 10.0 115.178 173.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -152.89 122.36 6.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.309 0.576 . . . . 10.0 110.117 -171.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -43.21 -44.73 5.36 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.347 1.459 . . . . 10.0 113.27 166.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.36 -47.76 84.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.327 0.251 . . . . 10.0 110.811 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.01 81.63 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.444 -0.785 . . . . 10.0 110.609 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 mm -66.04 -52.9 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 118.963 -0.542 . . . . 10.0 109.722 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -38.61 77.05 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 118.457 -1.297 . . . . 10.0 110.822 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.36 -27.02 64.97 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 -175.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -91.16 -29.87 17.01 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.86 -65.98 0.95 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.422 1.01 . . . . 10.0 111.982 -172.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 47.41 0.68 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.039 1.336 . . . . 10.0 110.756 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.8 t -125.86 -29.13 3.14 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 125.244 1.418 . . . . 10.0 113.734 -167.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 t -72.52 -45.53 58.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 122.481 1.134 . . . . 10.0 108.739 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.6 m -98.08 -53.76 3.28 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 125.962 1.705 . . . . 10.0 109.698 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -78.76 -20.77 49.13 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.236 1.199 . . . . 10.0 114.236 -166.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -66.66 -48.76 68.34 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.136 0.493 . . . . 10.0 110.799 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.69 -29.99 13.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.557 1.143 . . . . 10.0 112.489 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.86 45.72 3.85 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.941 1.258 . . . . 10.0 112.049 -172.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -84.26 157.35 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.158 0.983 . . . . 10.0 109.063 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 56.79 23.65 8.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.558 1.143 . . . . 10.0 112.71 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.61 19.11 76.2 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.099 0.857 . . . . 10.0 113.43 -174.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.36 139.78 97.52 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 118.959 1.38 . . . . 10.0 112.031 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -72.51 145.34 42.12 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 124.43 3.42 . . . . 10.0 110.363 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -69.28 154.44 42.03 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 121.088 -1.007 . . . . 10.0 112.533 -168.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 p -56.64 -39.73 74.19 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.839 2.055 . . . . 10.0 112.435 168.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.36 73.8 1.55 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.278 1.037 . . . . 10.0 112.859 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -113.03 166.44 11.41 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.494 1.517 . . . . 10.0 108.73 168.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.7 m -107.0 -36.96 6.46 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.144 0.429 . . . . 10.0 111.704 165.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.35 -22.74 47.55 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 120.966 -1.084 . . . . 10.0 112.924 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -80.42 -26.71 38.3 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.551 1.94 . . . . 10.0 110.238 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -96.74 -34.34 11.38 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.391 1.876 . . . . 10.0 111.927 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -40.75 -60.43 1.62 Allowed Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 114.348 1.24 . . . . 10.0 114.348 172.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -76.5 27.56 0.42 Allowed 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.566 2.844 . . . . 10.0 112.942 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -127.49 -52.97 1.37 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.804 2.041 . . . . 10.0 108.529 171.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.11 -10.64 2.0 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.252 1.821 . . . . 10.0 113.523 171.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.31 -27.57 38.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.207 1.403 . . . . 10.0 109.902 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -87.9 -54.7 4.1 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.024 0.44 . . . . 10.0 110.048 173.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.425 ' N ' HD22 ' A' ' 41' ' ' ASN . . . 163.52 -129.28 1.99 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.796 -0.922 . . . . 10.0 110.796 176.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.33 -63.92 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.122 0.969 . . . . 10.0 109.939 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.86 17.65 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.99 1.716 . . . . 10.0 114.137 -172.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.425 HD22 ' N ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -93.9 -26.18 16.99 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.943 2.097 . . . . 10.0 110.686 171.645 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.98 -40.08 9.85 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.557 0.743 . . . . 10.0 110.945 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -41.79 -33.13 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.776 1.23 . . . . 10.0 111.823 166.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -73.66 -51.53 16.4 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 120.914 -1.116 . . . . 10.0 112.965 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 m -58.79 -24.79 62.36 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.7 t -73.07 -60.23 2.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.441 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -57.45 -33.5 68.01 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 38.6 m -71.88 -30.11 65.07 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.985 0.914 . . . . 10.0 112.581 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.45 94.99 0.27 Allowed Glycine 0 CA--C 1.532 1.099 0 CA-C-N 119.242 0.928 . . . . 10.0 112.607 -172.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 tp -61.83 171.97 1.46 Allowed 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.891 -0.77 . . . . 10.0 111.52 168.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -45.89 -63.45 0.97 Allowed 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.481 -1.387 . . . . 10.0 114.393 -168.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.96 5.62 24.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.064 1.346 . . . . 10.0 112.88 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.6 ttp -114.53 125.92 28.58 Favored Pre-proline 0 CA--C 1.545 0.767 0 N-CA-C 113.548 0.944 . . . . 10.0 113.548 -173.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.93 144.75 83.89 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 121.537 1.491 . . . . 10.0 111.446 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -57.73 130.57 39.27 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.989 2.459 . . . . 10.0 109.244 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.73 -4.32 72.15 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 120.599 -0.81 . . . . 10.0 112.588 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.74 28.06 71.01 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 118.222 1.011 . . . . 10.0 112.334 -171.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 85.69 -4.22 0.83 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 127.581 2.352 . . . . 10.0 114.0 -177.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.0 138.77 34.01 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.207 0.912 . . . . 10.0 111.852 172.304 -177.498 -165.524 86.396 102.994 2.094 104.609 89.791 -89.42 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.5 m -80.2 -78.81 0.16 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.612 0.765 . . . . 10.0 111.589 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.32 32.38 0.45 Allowed 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.394 -0.816 . . . . 10.0 112.707 -162.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.419 ' HA ' ' CD1' ' A' ' -1' ' ' LEU . 1.9 m -84.29 129.64 34.87 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.891 1.441 . . . . 10.0 114.891 -164.881 -89.42 89.791 86.396 104.609 2.094 102.994 -165.524 -177.498 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.3 m -97.44 141.06 30.97 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.485 1.514 . . . . 10.0 109.321 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -40.62 -39.22 1.01 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.594 1.557 . . . . 10.0 113.809 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -45.68 -65.17 0.58 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.593 1.157 . . . . 10.0 112.507 170.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.48 -32.51 64.35 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.724 -0.61 . . . . 10.0 109.648 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -55.62 28.84 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 122.259 1.028 . . . . 10.0 111.735 176.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -74.26 -45.12 49.88 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 118.087 -0.959 . . . . 10.0 109.001 -173.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.89 -39.65 12.56 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.448 0.567 . . . . 10.0 112.29 168.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.8 -48.53 66.01 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.107 -0.995 . . . . 10.0 112.075 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.36 -42.6 80.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 121.644 -0.66 . . . . 10.0 111.67 173.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.336 9.2 pt-20 -76.54 -22.64 54.08 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 114.671 1.36 . . . . 10.0 114.671 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -52.35 -43.47 64.64 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.167 0.894 . . . . 10.0 111.663 166.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -71.69 -79.06 0.07 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -159.67 43.6 0.22 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.974 0.893 . . . . 10.0 112.04 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.9 pttt 36.68 52.77 1.02 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 127.601 2.36 . . . . 10.0 115.379 171.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.09 -67.33 0.31 Allowed 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 114.683 -1.144 . . . . 10.0 112.153 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 pttp . . . . . 0 C--O 1.254 1.331 0 N-CA-C 115.264 1.579 . . . . 10.0 115.264 -164.801 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 116.941 -1.504 . . . . 10.0 109.126 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -157.81 125.52 5.26 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.944 1.247 . . . . 10.0 110.967 -154.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' -1' ' ' LEU . 4.4 tt -121.38 62.22 0.91 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 128.068 2.547 . . . . 10.0 108.517 -173.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -116.89 -19.24 9.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 115.178 1.547 . . . . 10.0 115.178 173.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -152.89 122.36 6.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.309 0.576 . . . . 10.0 110.117 -171.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -43.21 -44.73 5.36 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.347 1.459 . . . . 10.0 113.27 166.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.36 -47.76 84.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.327 0.251 . . . . 10.0 110.811 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.01 81.63 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.444 -0.785 . . . . 10.0 110.609 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 mm -66.04 -52.9 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 118.963 -0.542 . . . . 10.0 109.722 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -38.61 77.05 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 118.457 -1.297 . . . . 10.0 110.822 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.36 -27.02 64.97 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 -175.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -91.16 -29.87 17.01 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.86 -65.98 0.95 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.422 1.01 . . . . 10.0 111.982 -172.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 47.41 0.68 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.039 1.336 . . . . 10.0 110.756 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.8 t -125.86 -29.13 3.14 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 125.244 1.418 . . . . 10.0 113.734 -167.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 t -72.52 -45.53 58.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 122.481 1.134 . . . . 10.0 108.739 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.6 m -98.08 -53.76 3.28 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 125.962 1.705 . . . . 10.0 109.698 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -78.76 -20.77 49.13 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.236 1.199 . . . . 10.0 114.236 -166.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -66.66 -48.76 68.34 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.136 0.493 . . . . 10.0 110.799 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.69 -29.99 13.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.557 1.143 . . . . 10.0 112.489 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.86 45.72 3.85 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.941 1.258 . . . . 10.0 112.049 -172.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -84.26 157.35 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.158 0.983 . . . . 10.0 109.063 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 56.79 23.65 8.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.558 1.143 . . . . 10.0 112.71 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.61 19.11 76.2 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.099 0.857 . . . . 10.0 113.43 -174.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.36 139.78 97.52 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 118.959 1.38 . . . . 10.0 112.031 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.483 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 86.0 Cg_endo -72.51 145.34 42.12 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 124.43 3.42 . . . . 10.0 110.363 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -69.28 154.44 42.03 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 121.088 -1.007 . . . . 10.0 112.533 -168.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 p -56.64 -39.73 74.19 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.839 2.055 . . . . 10.0 112.435 168.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.36 73.8 1.55 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.278 1.037 . . . . 10.0 112.859 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -113.03 166.44 11.41 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.494 1.517 . . . . 10.0 108.73 168.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.7 m -107.0 -36.96 6.46 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.144 0.429 . . . . 10.0 111.704 165.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.35 -22.74 47.55 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 120.966 -1.084 . . . . 10.0 112.924 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -80.42 -26.71 38.3 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.551 1.94 . . . . 10.0 110.238 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -96.74 -34.34 11.38 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.391 1.876 . . . . 10.0 111.927 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -40.75 -60.43 1.62 Allowed Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 114.348 1.24 . . . . 10.0 114.348 172.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -76.5 27.56 0.42 Allowed 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.566 2.844 . . . . 10.0 112.942 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 2.0 mmt85 -127.49 -52.97 1.37 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.804 2.041 . . . . 10.0 108.529 171.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.11 -10.64 2.0 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.252 1.821 . . . . 10.0 113.523 171.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.31 -27.57 38.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.207 1.403 . . . . 10.0 109.902 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -87.9 -54.7 4.1 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.024 0.44 . . . . 10.0 110.048 173.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.52 -129.28 1.99 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.796 -0.922 . . . . 10.0 110.796 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.33 -63.92 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.122 0.969 . . . . 10.0 109.939 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.86 17.65 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.99 1.716 . . . . 10.0 114.137 -172.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.9 -26.18 16.99 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.943 2.097 . . . . 10.0 110.686 171.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.98 -40.08 9.85 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.557 0.743 . . . . 10.0 110.945 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -41.79 -33.13 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.776 1.23 . . . . 10.0 111.823 166.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -73.66 -51.53 16.4 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 120.914 -1.116 . . . . 10.0 112.965 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 m -58.79 -24.79 62.36 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.7 t -73.07 -60.23 2.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.441 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -57.45 -33.5 68.01 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 38.6 m -71.88 -30.11 65.07 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.985 0.914 . . . . 10.0 112.581 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.45 94.99 0.27 Allowed Glycine 0 CA--C 1.532 1.099 0 CA-C-N 119.242 0.928 . . . . 10.0 112.607 -172.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 tp -61.83 171.97 1.46 Allowed 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.891 -0.77 . . . . 10.0 111.52 168.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -45.89 -63.45 0.97 Allowed 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.481 -1.387 . . . . 10.0 114.393 -168.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.96 5.62 24.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.064 1.346 . . . . 10.0 112.88 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.6 ttp -114.53 125.92 28.58 Favored Pre-proline 0 CA--C 1.545 0.767 0 N-CA-C 113.548 0.944 . . . . 10.0 113.548 -173.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.93 144.75 83.89 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 121.537 1.491 . . . . 10.0 111.446 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -57.73 130.57 39.27 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.989 2.459 . . . . 10.0 109.244 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.73 -4.32 72.15 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 120.599 -0.81 . . . . 10.0 112.588 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.74 28.06 71.01 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 118.222 1.011 . . . . 10.0 112.334 -171.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 85.69 -4.22 0.83 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 127.581 2.352 . . . . 10.0 114.0 -177.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.0 138.77 34.01 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.207 0.912 . . . . 10.0 111.852 172.304 -177.498 -165.524 86.396 102.994 2.094 104.609 89.791 -89.42 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.5 m -80.2 -78.81 0.16 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.612 0.765 . . . . 10.0 111.589 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.32 32.38 0.45 Allowed 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.394 -0.816 . . . . 10.0 112.707 -162.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 1.9 m -84.29 129.64 34.87 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.891 1.441 . . . . 10.0 114.891 -164.881 -89.42 89.791 86.396 104.609 2.094 102.994 -165.524 -177.498 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.3 m -97.44 141.06 30.97 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.485 1.514 . . . . 10.0 109.321 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -40.62 -39.22 1.01 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.594 1.557 . . . . 10.0 113.809 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -45.68 -65.17 0.58 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.593 1.157 . . . . 10.0 112.507 170.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.48 -32.51 64.35 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.724 -0.61 . . . . 10.0 109.648 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 62' ' ' CYS . 0.2 OUTLIER -55.0 -55.62 28.84 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 122.259 1.028 . . . . 10.0 111.735 176.342 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -74.26 -45.12 49.88 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 118.087 -0.959 . . . . 10.0 109.001 -173.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.89 -39.65 12.56 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.448 0.567 . . . . 10.0 112.29 168.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.8 -48.53 66.01 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.107 -0.995 . . . . 10.0 112.075 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.36 -42.6 80.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 121.644 -0.66 . . . . 10.0 111.67 173.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.336 9.2 pt-20 -76.54 -22.64 54.08 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 114.671 1.36 . . . . 10.0 114.671 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -52.35 -43.47 64.64 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.167 0.894 . . . . 10.0 111.663 166.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -71.69 -79.06 0.07 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -159.67 43.6 0.22 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.974 0.893 . . . . 10.0 112.04 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.9 pttt 36.68 52.77 1.02 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 127.601 2.36 . . . . 10.0 115.379 171.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 34' ' ' ARG . . . -145.09 -67.33 0.31 Allowed 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 114.683 -1.144 . . . . 10.0 112.153 169.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.592 ' HB2' HMA3 ' A' ' 90' ' ' HEC . 1.6 pttp . . . . . 0 C--O 1.254 1.331 0 N-CA-C 115.264 1.579 . . . . 10.0 115.264 -164.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HEC . . . . . 0.78 HMC1 HBC3 ' A' ' 90' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 116.941 -1.504 . . . . 10.0 109.126 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -157.81 125.52 5.26 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.944 1.247 . . . . 10.0 110.967 -154.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' -1' ' ' LEU . 4.4 tt -121.38 62.22 0.91 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 128.068 2.547 . . . . 10.0 108.517 -173.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -116.89 -19.24 9.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 115.178 1.547 . . . . 10.0 115.178 173.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -152.89 122.36 6.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.309 0.576 . . . . 10.0 110.117 -171.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -43.21 -44.73 5.36 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.347 1.459 . . . . 10.0 113.27 166.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.36 -47.76 84.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.327 0.251 . . . . 10.0 110.811 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.01 81.63 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.444 -0.785 . . . . 10.0 110.609 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 mm -66.04 -52.9 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 118.963 -0.542 . . . . 10.0 109.722 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -38.61 77.05 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 118.457 -1.297 . . . . 10.0 110.822 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.36 -27.02 64.97 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 -175.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -91.16 -29.87 17.01 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.86 -65.98 0.95 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.422 1.01 . . . . 10.0 111.982 -172.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 47.41 0.68 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.039 1.336 . . . . 10.0 110.756 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.8 t -125.86 -29.13 3.14 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 125.244 1.418 . . . . 10.0 113.734 -167.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 t -72.52 -45.53 58.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 122.481 1.134 . . . . 10.0 108.739 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.6 m -98.08 -53.76 3.28 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 125.962 1.705 . . . . 10.0 109.698 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -78.76 -20.77 49.13 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.236 1.199 . . . . 10.0 114.236 -166.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -66.66 -48.76 68.34 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.136 0.493 . . . . 10.0 110.799 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.69 -29.99 13.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.557 1.143 . . . . 10.0 112.489 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.86 45.72 3.85 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.941 1.258 . . . . 10.0 112.049 -172.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -84.26 157.35 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.158 0.983 . . . . 10.0 109.063 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 56.79 23.65 8.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.558 1.143 . . . . 10.0 112.71 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.61 19.11 76.2 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.099 0.857 . . . . 10.0 113.43 -174.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.36 139.78 97.52 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 118.959 1.38 . . . . 10.0 112.031 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.483 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 86.0 Cg_endo -72.51 145.34 42.12 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 124.43 3.42 . . . . 10.0 110.363 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -69.28 154.44 42.03 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 121.088 -1.007 . . . . 10.0 112.533 -168.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 p -56.64 -39.73 74.19 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.839 2.055 . . . . 10.0 112.435 168.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.36 73.8 1.55 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.278 1.037 . . . . 10.0 112.859 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -113.03 166.44 11.41 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.494 1.517 . . . . 10.0 108.73 168.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.7 m -107.0 -36.96 6.46 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.144 0.429 . . . . 10.0 111.704 165.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.35 -22.74 47.55 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 120.966 -1.084 . . . . 10.0 112.924 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -80.42 -26.71 38.3 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.551 1.94 . . . . 10.0 110.238 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -96.74 -34.34 11.38 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.391 1.876 . . . . 10.0 111.927 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -40.75 -60.43 1.62 Allowed Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 114.348 1.24 . . . . 10.0 114.348 172.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -76.5 27.56 0.42 Allowed 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.566 2.844 . . . . 10.0 112.942 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 2.0 mmt85 -127.49 -52.97 1.37 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.804 2.041 . . . . 10.0 108.529 171.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.11 -10.64 2.0 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.252 1.821 . . . . 10.0 113.523 171.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.31 -27.57 38.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.207 1.403 . . . . 10.0 109.902 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -87.9 -54.7 4.1 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.024 0.44 . . . . 10.0 110.048 173.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.448 ' N ' HD21 ' A' ' 41' ' ' ASN . . . 163.52 -129.28 1.99 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.796 -0.922 . . . . 10.0 110.796 176.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.33 -63.92 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.122 0.969 . . . . 10.0 109.939 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.86 17.65 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.99 1.716 . . . . 10.0 114.137 -172.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.448 HD21 ' N ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -93.9 -26.18 16.99 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.943 2.097 . . . . 10.0 110.686 171.645 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.98 -40.08 9.85 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.557 0.743 . . . . 10.0 110.945 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -41.79 -33.13 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.776 1.23 . . . . 10.0 111.823 166.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -73.66 -51.53 16.4 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 120.914 -1.116 . . . . 10.0 112.965 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 m -58.79 -24.79 62.36 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.7 t -73.07 -60.23 2.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.441 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -57.45 -33.5 68.01 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 38.6 m -71.88 -30.11 65.07 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.985 0.914 . . . . 10.0 112.581 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.45 94.99 0.27 Allowed Glycine 0 CA--C 1.532 1.099 0 CA-C-N 119.242 0.928 . . . . 10.0 112.607 -172.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 tp -61.83 171.97 1.46 Allowed 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.891 -0.77 . . . . 10.0 111.52 168.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.466 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 1.7 m-80 -45.89 -63.45 0.97 Allowed 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.481 -1.387 . . . . 10.0 114.393 -168.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.96 5.62 24.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.064 1.346 . . . . 10.0 112.88 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.6 ttp -114.53 125.92 28.58 Favored Pre-proline 0 CA--C 1.545 0.767 0 N-CA-C 113.548 0.944 . . . . 10.0 113.548 -173.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.93 144.75 83.89 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 121.537 1.491 . . . . 10.0 111.446 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -57.73 130.57 39.27 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.989 2.459 . . . . 10.0 109.244 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.73 -4.32 72.15 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 120.599 -0.81 . . . . 10.0 112.588 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.74 28.06 71.01 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 118.222 1.011 . . . . 10.0 112.334 -171.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 85.69 -4.22 0.83 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 127.581 2.352 . . . . 10.0 114.0 -177.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.0 138.77 34.01 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.207 0.912 . . . . 10.0 111.852 172.304 -177.498 -165.524 86.396 102.994 2.094 104.609 89.791 -89.42 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.5 m -80.2 -78.81 0.16 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.612 0.765 . . . . 10.0 111.589 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.32 32.38 0.45 Allowed 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.394 -0.816 . . . . 10.0 112.707 -162.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 1.9 m -84.29 129.64 34.87 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.891 1.441 . . . . 10.0 114.891 -164.881 -89.42 89.791 86.396 104.609 2.094 102.994 -165.524 -177.498 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.3 m -97.44 141.06 30.97 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.485 1.514 . . . . 10.0 109.321 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -40.62 -39.22 1.01 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.594 1.557 . . . . 10.0 113.809 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -45.68 -65.17 0.58 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.593 1.157 . . . . 10.0 112.507 170.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.48 -32.51 64.35 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.724 -0.61 . . . . 10.0 109.648 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 62' ' ' CYS . 0.2 OUTLIER -55.0 -55.62 28.84 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 122.259 1.028 . . . . 10.0 111.735 176.342 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -74.26 -45.12 49.88 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 118.087 -0.959 . . . . 10.0 109.001 -173.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.89 -39.65 12.56 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.448 0.567 . . . . 10.0 112.29 168.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.8 -48.53 66.01 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.107 -0.995 . . . . 10.0 112.075 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.36 -42.6 80.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 121.644 -0.66 . . . . 10.0 111.67 173.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.336 9.2 pt-20 -76.54 -22.64 54.08 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 114.671 1.36 . . . . 10.0 114.671 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -52.35 -43.47 64.64 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.167 0.894 . . . . 10.0 111.663 166.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -71.69 -79.06 0.07 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -159.67 43.6 0.22 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.974 0.893 . . . . 10.0 112.04 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.9 pttt 36.68 52.77 1.02 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 127.601 2.36 . . . . 10.0 115.379 171.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 34' ' ' ARG . . . -145.09 -67.33 0.31 Allowed 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 114.683 -1.144 . . . . 10.0 112.153 169.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.592 ' HB2' HMA3 ' A' ' 90' ' ' HEC . 1.6 pttp . . . . . 0 C--O 1.254 1.331 0 N-CA-C 115.264 1.579 . . . . 10.0 115.264 -164.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HEC . . . . . 0.78 HMC1 HBC3 ' A' ' 90' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_