data_1kbs_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 1kbs _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.304 37.6 mtm180 . . . . . 0 C--O 1.213 -0.85 0 N-CA-C 110.298 -0.26 . . . . 3.73 110.298 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -157.88 177.23 11.57 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 126.865 2.603 . . . . 3.73 105.057 -160.468 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -116.03 92.1 3.79 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 113.746 -1.57 . . . . 1.8400000000000001 113.163 -173.108 -23.768 -155.057 107.411 94.691 2.013 95.692 144.343 -155.934 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -74.25 14.86 0.38 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 117.624 -1.63 . . . . 3.0899999999999999 111.298 -168.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 3' ' ' CYS . 10.3 mptt -146.2 151.13 37.12 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 104.023 -2.584 . . . . 3.1200000000000001 104.023 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -134.96 -60.35 0.77 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 124.095 1.902 . . . . 2.4199999999999999 107.411 163.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.441 ' HB ' ' CD ' ' A' ' 8' ' ' PRO 0.384 0.0 OUTLIER -121.12 -148.23 0.0 OUTLIER Pre-proline 0 N--CA 1.433 -1.314 0 CA-C-N 109.239 -3.618 . . . . 1.6000000000000001 102.07 -172.275 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.441 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 12.7 Cg_endo -66.68 -36.09 26.15 Favored 'Trans proline' 0 C--N 1.368 1.575 0 CA-C-N 122.959 2.093 . . . . 2.0099999999999998 111.12 -171.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.46 1.69 2.41 Favored 'General case' 0 CA--C 1.562 1.429 0 CA-C-N 112.94 -1.936 . . . . 3.0499999999999998 113.036 -161.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.05 153.02 17.84 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 103.994 -2.595 . . . . 2.46 103.994 -173.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -151.82 147.42 26.62 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 102.654 -3.091 . . . . 3.4399999999999999 102.654 -174.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.15 168.34 27.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 124.872 2.272 . . . . 3.3599999999999999 107.926 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.498 ' HA ' ' CB ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -110.71 159.05 17.96 Favored 'General case' 0 N--CA 1.428 -1.556 1 CA-C-N 106.942 -4.663 . . . . 3.5699999999999998 108.106 169.054 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.7 m -110.45 162.47 20.42 Favored Pre-proline 0 N--CA 1.435 -1.188 0 CA-C-N 108.981 -3.736 . . . . 2.5499999999999998 105.484 170.594 -82.728 -155.69 140.773 98.262 2.014 104.176 100.777 -122.258 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.39 -133.56 0.01 OUTLIER 'Trans proline' 0 CA--C 1.563 1.967 0 O-C-N 124.818 1.957 . . . . 2.9399999999999999 108.449 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.66 19.4 3.08 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.197 0.936 . . . . 3.7599999999999998 110.499 -168.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -109.83 3.57 30.45 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-N 113.622 -1.627 . . . . 2.6299999999999999 109.724 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -133.88 152.88 52.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 125.299 2.476 . . . . 4.3499999999999996 110.803 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 60' ' ' ASN 0.272 26.0 m-20 -95.08 -76.75 0.48 Allowed 'General case' 0 C--O 1.199 -1.555 1 CA-C-N 106.667 -4.788 . . . . 3.6600000000000001 105.601 -175.057 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . 0.419 0.1 OUTLIER -107.81 -155.5 0.55 Allowed 'General case' 0 CA--C 1.576 1.981 0 C-N-CA 113.645 -3.222 . . . . 2.9100000000000001 110.447 -167.345 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 37' ' ' GLY . 4.3 t -153.68 149.25 27.33 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 101.178 -3.638 . . . . 1.5800000000000001 101.178 176.639 -155.934 144.343 107.411 95.692 2.013 94.691 -155.057 -23.768 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.467 ' CD1' HG13 ' A' ' 39' ' ' ILE . 3.3 p90 -146.18 144.02 29.66 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 103.701 -2.703 . . . . 2.4500000000000002 103.701 -176.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 31.4 mttt -92.1 123.11 35.21 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 112.718 -2.037 . . . . 2.25 105.66 173.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.1 ttp -87.88 116.79 26.28 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 125.439 1.712 . . . . 1.47 106.635 171.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 33.0 m-85 -121.1 -170.29 1.99 Allowed 'General case' 0 C--O 1.219 -0.55 0 O-C-N 124.938 1.399 . . . . 2.3100000000000001 109.2 174.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.2 mtp -138.87 163.46 32.23 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 125.071 1.482 . . . . 2.3500000000000001 107.677 -173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.8 t -116.11 -10.26 12.12 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 O-C-N 125.52 1.763 . . . . 1.71 112.275 -173.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.76 -0.73 51.01 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 121.906 0.86 . . . . 2.6299999999999999 109.438 -173.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.01 -175.82 2.86 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.015 -1.448 . . . . 4.5999999999999996 107.128 -158.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.409 37.5 mt -103.73 -12.19 17.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 129.333 3.053 . . . . 4.3099999999999996 110.622 -153.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.253 1.2 p -113.42 -155.19 0.56 Allowed 'General case' 0 N--CA 1.409 -2.52 2 CA-C-N 107.129 -4.578 . . . . 3.2000000000000002 100.013 179.799 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.9 t -173.59 -52.11 0.0 OUTLIER Pre-proline 0 C--N 1.292 -1.914 1 N-CA-C 96.416 -5.402 . . . . 1.6799999999999999 96.416 -157.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.481 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 96.5 Cg_endo -77.72 142.47 20.37 Favored 'Trans proline' 0 C--N 1.377 2.047 0 CA-C-N 120.464 1.202 . . . . 0.69999999999999996 113.032 171.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.5 t -154.36 -70.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.879 0 O-C-N 126.231 2.207 . . . . 1.2 107.716 -173.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -155.72 -172.65 4.21 Favored 'General case' 0 C--N 1.367 1.339 0 CA-C-N 120.021 1.282 . . . . 3.2200000000000002 112.426 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.655 ' NH2' ' SG ' ' A' ' 54' ' ' CYS . 2.3 ttm180 -156.88 166.64 32.8 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 125.946 2.029 . . . . 2.8199999999999998 107.581 163.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 21' ' ' CYS . . . -152.77 -168.55 16.93 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 103.981 -3.647 . . . . 1.23 103.981 166.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -176.39 6.2 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 127.0 2.235 . . . . 1.8899999999999999 108.1 171.055 -122.258 100.777 140.773 104.176 2.014 98.262 -155.69 -82.728 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 22' ' ' TYR . 1.6 mt -154.27 164.64 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 O-C-N 125.258 1.599 . . . . 1.8700000000000001 107.728 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -115.24 -32.91 5.51 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 126.094 2.121 . . . . 2.71 112.386 170.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.9 138.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 N-CA-C 107.593 -1.262 . . . . 3.0899999999999999 107.593 174.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.7 t -105.1 102.32 35.5 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 106.902 -1.518 . . . . 1.7 106.902 164.826 -175.612 165.139 -68.75 102.559 2.028 100.35 -157.152 65.814 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.61 -117.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.367 1.513 0 N-CA-C 104.811 -2.804 . . . . 1.79 104.811 164.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.48 -167.58 1.25 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 113.493 -1.685 . . . . 3.9399999999999999 108.14 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.32 149.22 51.9 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 101.131 -3.655 . . . . 2.0600000000000001 101.131 -169.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.98 -179.29 4.64 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 126.031 2.082 . . . . 2.1600000000000001 105.443 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.22 19.39 14.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 124.772 1.295 . . . . 2.1000000000000001 111.532 171.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.08 -39.84 2.89 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 125.074 1.483 . . . . 2.0899999999999999 109.193 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.3 140.91 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 N-CA-C 103.997 -2.594 . . . . 1.8200000000000001 103.997 -175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -89.79 103.85 16.46 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 103.188 -2.893 . . . . 2.73 103.188 173.508 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -84.98 102.71 13.4 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 106.031 -1.84 . . . . 2.3500000000000001 106.031 163.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -104.82 76.31 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-O 123.477 1.608 . . . . 1.71 107.639 167.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -68.27 162.18 25.65 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 112.076 -2.329 . . . . 1.49 105.609 174.236 65.814 -157.152 -68.75 100.35 2.028 102.559 165.139 -175.612 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.655 ' SG ' ' NH2' ' A' ' 36' ' ' ARG . 11.3 p -171.62 159.42 5.42 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 102.924 -2.991 . . . . 1.77 102.924 172.876 52.179 82.916 -95.692 105.947 2.038 109.677 -136.508 -5.204 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.8 17.67 12.65 Favored 'General case' 0 CA--C 1.558 1.28 0 O-C-N 127.385 2.928 . . . . 2.6600000000000001 110.534 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.9 p -85.56 -165.66 1.29 Allowed 'General case' 0 C--N 1.355 0.821 0 C-N-CA 114.859 -2.736 . . . . 2.8300000000000001 108.554 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.3 -28.09 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.816 1.784 . . . . 3.4100000000000001 115.816 170.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.543 ' C ' ' SG ' ' A' ' 59' ' ' CYS . 1.8 mtt180 -103.22 20.49 17.61 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 107.836 -1.172 . . . . 3.3900000000000001 107.836 -170.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.543 ' SG ' ' C ' ' A' ' 58' ' ' ARG 0.312 0.0 OUTLIER -150.82 -80.17 0.12 Allowed 'General case' 0 N--CA 1.426 -1.631 0 O-C-N 125.372 1.67 . . . . 2.3399999999999999 107.13 -172.897 -5.204 -136.508 -95.692 109.677 2.038 105.947 82.916 52.179 4 4 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 19' ' ' ASN . 25.3 p-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 116.455 -1.736 . . . . 3.8799999999999999 113.575 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.304 37.6 mtm180 . . . . . 0 C--O 1.213 -0.85 0 N-CA-C 110.298 -0.26 . . . . 3.3900000000000001 110.298 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.654 ' HB2' ' HA ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -157.88 177.23 11.57 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 126.865 2.603 . . . . 3.27 105.057 -160.468 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HA ' ' C ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -116.03 92.1 3.79 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 113.746 -1.57 . . . . 1.8400000000000001 113.163 -173.108 -23.768 -155.057 107.411 94.691 2.013 95.692 144.343 -155.934 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.417 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 7.3 m-20 -74.25 14.86 0.38 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 117.624 -1.63 . . . . 3.0899999999999999 111.298 -168.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 3' ' ' CYS . 10.3 mptt -146.2 151.13 37.12 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 104.023 -2.584 . . . . 2.5299999999999998 104.023 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 12' ' ' LYS . 5.4 mp -134.96 -60.35 0.77 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 124.095 1.902 . . . . 1.73 107.411 163.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.566 ' HB ' ' HD2' ' A' ' 8' ' ' PRO 0.384 0.0 OUTLIER -121.12 -148.23 0.0 OUTLIER Pre-proline 0 N--CA 1.433 -1.314 0 CA-C-N 109.239 -3.618 . . . . 1.53 102.07 -172.275 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HD2' ' HB ' ' A' ' 7' ' ' VAL . 12.7 Cg_endo -66.68 -36.09 26.15 Favored 'Trans proline' 0 C--N 1.368 1.575 0 CA-C-N 122.959 2.093 . . . . 1.5700000000000001 111.12 -171.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -137.46 1.69 2.41 Favored 'General case' 0 CA--C 1.562 1.429 0 CA-C-N 112.94 -1.936 . . . . 2.7000000000000002 113.036 -161.483 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.05 153.02 17.84 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 103.994 -2.595 . . . . 1.8400000000000001 103.994 -173.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -151.82 147.42 26.62 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 102.654 -3.091 . . . . 3.1299999999999999 102.654 -174.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.7 ' HB2' HD11 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -155.15 168.34 27.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 124.872 2.272 . . . . 2.8700000000000001 107.926 177.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.654 ' HA ' ' HB2' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -110.71 159.05 17.96 Favored 'General case' 0 N--CA 1.428 -1.556 1 CA-C-N 106.942 -4.663 . . . . 3.0299999999999998 108.106 169.054 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.7 m -110.45 162.47 20.42 Favored Pre-proline 0 N--CA 1.435 -1.188 0 CA-C-N 108.981 -3.736 . . . . 2.5499999999999998 105.484 170.594 -82.728 -155.69 140.773 98.262 2.014 104.176 100.777 -122.258 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.39 -133.56 0.01 OUTLIER 'Trans proline' 0 CA--C 1.563 1.967 0 O-C-N 124.818 1.957 . . . . 2.7200000000000002 108.449 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.66 19.4 3.08 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.197 0.936 . . . . 3.3300000000000001 110.499 -168.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -109.83 3.57 30.45 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-N 113.622 -1.627 . . . . 2.46 109.724 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HG2' ' HB3' ' A' ' 38' ' ' CYS . 2.8 mptt -133.88 152.88 52.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 125.299 2.476 . . . . 3.8900000000000001 110.803 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.656 ' O ' ' HB3' ' A' ' 60' ' ' ASN 0.272 26.0 m-20 -95.08 -76.75 0.48 Allowed 'General case' 0 C--O 1.199 -1.555 1 CA-C-N 106.667 -4.788 . . . . 3.6600000000000001 105.601 -175.057 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 54' ' ' CYS 0.419 0.1 OUTLIER -107.81 -155.5 0.55 Allowed 'General case' 0 CA--C 1.576 1.981 0 C-N-CA 113.645 -3.222 . . . . 2.4199999999999999 110.447 -167.345 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 37' ' ' GLY . 4.3 t -153.68 149.25 27.33 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 101.178 -3.638 . . . . 1.55 101.178 176.639 -155.934 144.343 107.411 95.692 2.013 94.691 -155.057 -23.768 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.581 ' HB3' HD12 ' A' ' 39' ' ' ILE . 3.3 p90 -146.18 144.02 29.66 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 103.701 -2.703 . . . . 1.6499999999999999 103.701 -176.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 31.4 mttt -92.1 123.11 35.21 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 112.718 -2.037 . . . . 1.76 105.66 173.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.455 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 3.1 ttp -87.88 116.79 26.28 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 125.439 1.712 . . . . 1.1299999999999999 106.635 171.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.746 ' HB2' ' HB2' ' A' ' 50' ' ' LYS . 33.0 m-85 -121.1 -170.29 1.99 Allowed 'General case' 0 C--O 1.219 -0.55 0 O-C-N 124.938 1.399 . . . . 1.3799999999999999 109.2 174.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.2 mtp -138.87 163.46 32.23 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 125.071 1.482 . . . . 1.6100000000000001 107.677 -173.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.578 HG22 ' HD3' ' A' ' 50' ' ' LYS . 99.8 t -116.11 -10.26 12.12 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 O-C-N 125.52 1.763 . . . . 1.1000000000000001 112.275 -173.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.76 -0.73 51.01 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 121.906 0.86 . . . . 2.3399999999999999 109.438 -173.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.01 -175.82 2.86 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.015 -1.448 . . . . 3.9399999999999999 107.128 -158.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.409 37.5 mt -103.73 -12.19 17.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 129.333 3.053 . . . . 3.79 110.622 -153.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.253 1.2 p -113.42 -155.19 0.56 Allowed 'General case' 0 N--CA 1.409 -2.52 2 CA-C-N 107.129 -4.578 . . . . 2.6800000000000002 100.013 179.799 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.9 t -173.59 -52.11 0.0 OUTLIER Pre-proline 0 C--N 1.292 -1.914 1 N-CA-C 96.416 -5.402 . . . . 0.88 96.416 -157.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.511 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 96.5 Cg_endo -77.72 142.47 20.37 Favored 'Trans proline' 0 C--N 1.377 2.047 0 CA-C-N 120.464 1.202 . . . . 0.56999999999999995 113.032 171.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.45 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 43.5 t -154.36 -70.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.879 0 O-C-N 126.231 2.207 . . . . 0.55000000000000004 107.716 -173.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 16.0 mttt -155.72 -172.65 4.21 Favored 'General case' 0 C--N 1.367 1.339 0 CA-C-N 120.021 1.282 . . . . 2.71 112.426 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.655 ' NH2' ' SG ' ' A' ' 54' ' ' CYS . 2.3 ttm180 -156.88 166.64 32.8 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 125.946 2.029 . . . . 2.2999999999999998 107.581 163.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 21' ' ' CYS . . . -152.77 -168.55 16.93 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 103.981 -3.647 . . . . 1.23 103.981 166.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.548 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -84.73 -176.39 6.2 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 127.0 2.235 . . . . 1.8899999999999999 108.1 171.055 -122.258 100.777 140.773 104.176 2.014 98.262 -155.69 -82.728 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.581 HD12 ' HB3' ' A' ' 22' ' ' TYR . 1.6 mt -154.27 164.64 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 O-C-N 125.258 1.599 . . . . 1.72 107.728 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -115.24 -32.91 5.51 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 126.094 2.121 . . . . 2.71 112.386 170.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.9 138.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 N-CA-C 107.593 -1.262 . . . . 2.52 107.593 174.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.7 t -105.1 102.32 35.5 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 106.902 -1.518 . . . . 1.6399999999999999 106.902 164.826 -175.612 165.139 -68.75 102.559 2.028 100.35 -157.152 65.814 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.61 -117.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.367 1.513 0 N-CA-C 104.811 -2.804 . . . . 1.79 104.811 164.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.48 -167.58 1.25 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 113.493 -1.685 . . . . 3.5800000000000001 108.14 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.32 149.22 51.9 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 101.131 -3.655 . . . . 2.0600000000000001 101.131 -169.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.98 -179.29 4.64 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 126.031 2.082 . . . . 1.8700000000000001 105.443 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.22 19.39 14.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 124.772 1.295 . . . . 1.3500000000000001 111.532 171.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.08 -39.84 2.89 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 125.074 1.483 . . . . 1.54 109.193 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 17.8 m -129.3 140.91 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 N-CA-C 103.997 -2.594 . . . . 1.1599999999999999 103.997 -175.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.746 ' HB2' ' HB2' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -89.79 103.85 16.46 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 103.188 -2.893 . . . . 2.21 103.188 173.508 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -84.98 102.71 13.4 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 106.031 -1.84 . . . . 1.54 106.031 163.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -104.82 76.31 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-O 123.477 1.608 . . . . 1.1200000000000001 107.639 167.76 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -68.27 162.18 25.65 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 112.076 -2.329 . . . . 1.49 105.609 174.236 65.814 -157.152 -68.75 100.35 2.028 102.559 165.139 -175.612 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.655 ' SG ' ' NH2' ' A' ' 36' ' ' ARG . 11.3 p -171.62 159.42 5.42 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 102.924 -2.991 . . . . 1.77 102.924 172.876 52.179 82.916 -95.692 105.947 2.038 109.677 -136.508 -5.204 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.421 ' HA ' ' OD1' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -119.8 17.67 12.65 Favored 'General case' 0 CA--C 1.558 1.28 0 O-C-N 127.385 2.928 . . . . 2.4100000000000001 110.534 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.9 p -85.56 -165.66 1.29 Allowed 'General case' 0 C--N 1.355 0.821 0 C-N-CA 114.859 -2.736 . . . . 2.4300000000000002 108.554 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.3 -28.09 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.816 1.784 . . . . 3.4100000000000001 115.816 170.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.543 ' C ' ' SG ' ' A' ' 59' ' ' CYS . 1.8 mtt180 -103.22 20.49 17.61 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 107.836 -1.172 . . . . 3.0800000000000001 107.836 -170.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.543 ' SG ' ' C ' ' A' ' 58' ' ' ARG 0.312 0.0 OUTLIER -150.82 -80.17 0.12 Allowed 'General case' 0 N--CA 1.426 -1.631 0 O-C-N 125.372 1.67 . . . . 2.3399999999999999 107.13 -172.897 -5.204 -136.508 -95.692 109.677 2.038 105.947 82.916 52.179 4 4 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.656 ' HB3' ' O ' ' A' ' 19' ' ' ASN . 25.3 p-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 116.455 -1.736 . . . . 3.23 113.575 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.304 37.6 mtm180 . . . . . 0 C--O 1.213 -0.85 0 N-CA-C 110.298 -0.26 . . . . 3.3900000000000001 110.298 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.654 ' HB2' ' HA ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -157.88 177.23 11.57 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 126.865 2.603 . . . . 3.27 105.057 -160.468 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HA ' ' C ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -116.03 92.1 3.79 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 113.746 -1.57 . . . . 1.8400000000000001 113.163 -173.108 -23.768 -155.057 107.411 94.691 2.013 95.692 144.343 -155.934 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.417 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 7.3 m-20 -74.25 14.86 0.38 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 117.624 -1.63 . . . . 3.0899999999999999 111.298 -168.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 3' ' ' CYS . 10.3 mptt -146.2 151.13 37.12 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 104.023 -2.584 . . . . 2.5299999999999998 104.023 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 12' ' ' LYS . 5.4 mp -134.96 -60.35 0.77 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 124.095 1.902 . . . . 1.73 107.411 163.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.566 ' HB ' ' HD2' ' A' ' 8' ' ' PRO 0.384 0.0 OUTLIER -121.12 -148.23 0.0 OUTLIER Pre-proline 0 N--CA 1.433 -1.314 0 CA-C-N 109.239 -3.618 . . . . 1.53 102.07 -172.275 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HD2' ' HB ' ' A' ' 7' ' ' VAL . 12.7 Cg_endo -66.68 -36.09 26.15 Favored 'Trans proline' 0 C--N 1.368 1.575 0 CA-C-N 122.959 2.093 . . . . 1.5700000000000001 111.12 -171.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -137.46 1.69 2.41 Favored 'General case' 0 CA--C 1.562 1.429 0 CA-C-N 112.94 -1.936 . . . . 2.7000000000000002 113.036 -161.483 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.05 153.02 17.84 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 103.994 -2.595 . . . . 1.8400000000000001 103.994 -173.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -151.82 147.42 26.62 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 102.654 -3.091 . . . . 3.1299999999999999 102.654 -174.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.7 ' HB2' HD11 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -155.15 168.34 27.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 124.872 2.272 . . . . 2.8700000000000001 107.926 177.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.654 ' HA ' ' HB2' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -110.71 159.05 17.96 Favored 'General case' 0 N--CA 1.428 -1.556 1 CA-C-N 106.942 -4.663 . . . . 3.0299999999999998 108.106 169.054 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.7 m -110.45 162.47 20.42 Favored Pre-proline 0 N--CA 1.435 -1.188 0 CA-C-N 108.981 -3.736 . . . . 2.5499999999999998 105.484 170.594 -82.728 -155.69 140.773 98.262 2.014 104.176 100.777 -122.258 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.39 -133.56 0.01 OUTLIER 'Trans proline' 0 CA--C 1.563 1.967 0 O-C-N 124.818 1.957 . . . . 2.7200000000000002 108.449 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.66 19.4 3.08 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.197 0.936 . . . . 3.3300000000000001 110.499 -168.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -109.83 3.57 30.45 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-N 113.622 -1.627 . . . . 2.46 109.724 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HG2' ' HB3' ' A' ' 38' ' ' CYS . 2.8 mptt -133.88 152.88 52.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 125.299 2.476 . . . . 3.8900000000000001 110.803 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.656 ' O ' ' HB3' ' A' ' 60' ' ' ASN 0.272 26.0 m-20 -95.08 -76.75 0.48 Allowed 'General case' 0 C--O 1.199 -1.555 1 CA-C-N 106.667 -4.788 . . . . 3.6600000000000001 105.601 -175.057 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 54' ' ' CYS 0.419 0.1 OUTLIER -107.81 -155.5 0.55 Allowed 'General case' 0 CA--C 1.576 1.981 0 C-N-CA 113.645 -3.222 . . . . 2.4199999999999999 110.447 -167.345 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 37' ' ' GLY . 4.3 t -153.68 149.25 27.33 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 101.178 -3.638 . . . . 1.55 101.178 176.639 -155.934 144.343 107.411 95.692 2.013 94.691 -155.057 -23.768 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.581 ' HB3' HD12 ' A' ' 39' ' ' ILE . 3.3 p90 -146.18 144.02 29.66 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 103.701 -2.703 . . . . 1.6499999999999999 103.701 -176.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 31.4 mttt -92.1 123.11 35.21 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 112.718 -2.037 . . . . 1.76 105.66 173.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.455 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 3.1 ttp -87.88 116.79 26.28 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 125.439 1.712 . . . . 1.1299999999999999 106.635 171.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.746 ' HB2' ' HB2' ' A' ' 50' ' ' LYS . 33.0 m-85 -121.1 -170.29 1.99 Allowed 'General case' 0 C--O 1.219 -0.55 0 O-C-N 124.938 1.399 . . . . 1.3799999999999999 109.2 174.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.2 mtp -138.87 163.46 32.23 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 125.071 1.482 . . . . 1.6100000000000001 107.677 -173.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.578 HG22 ' HD3' ' A' ' 50' ' ' LYS . 99.8 t -116.11 -10.26 12.12 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 O-C-N 125.52 1.763 . . . . 1.1000000000000001 112.275 -173.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.76 -0.73 51.01 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 121.906 0.86 . . . . 2.3399999999999999 109.438 -173.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.01 -175.82 2.86 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.015 -1.448 . . . . 3.9399999999999999 107.128 -158.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.409 37.5 mt -103.73 -12.19 17.14 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 129.333 3.053 . . . . 3.79 110.622 -153.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.253 1.2 p -113.42 -155.19 0.56 Allowed 'General case' 0 N--CA 1.409 -2.52 2 CA-C-N 107.129 -4.578 . . . . 2.6800000000000002 100.013 179.799 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.9 t -173.59 -52.11 0.0 OUTLIER Pre-proline 0 C--N 1.292 -1.914 1 N-CA-C 96.416 -5.402 . . . . 0.88 96.416 -157.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.511 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 96.5 Cg_endo -77.72 142.47 20.37 Favored 'Trans proline' 0 C--N 1.377 2.047 0 CA-C-N 120.464 1.202 . . . . 0.56999999999999995 113.032 171.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.45 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 43.5 t -154.36 -70.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.879 0 O-C-N 126.231 2.207 . . . . 0.55000000000000004 107.716 -173.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 16.0 mttt -155.72 -172.65 4.21 Favored 'General case' 0 C--N 1.367 1.339 0 CA-C-N 120.021 1.282 . . . . 2.71 112.426 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.655 ' NH2' ' SG ' ' A' ' 54' ' ' CYS . 2.3 ttm180 -156.88 166.64 32.8 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 125.946 2.029 . . . . 2.2999999999999998 107.581 163.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 21' ' ' CYS . . . -152.77 -168.55 16.93 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 103.981 -3.647 . . . . 1.23 103.981 166.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.548 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -84.73 -176.39 6.2 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 127.0 2.235 . . . . 1.8899999999999999 108.1 171.055 -122.258 100.777 140.773 104.176 2.014 98.262 -155.69 -82.728 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.581 HD12 ' HB3' ' A' ' 22' ' ' TYR . 1.6 mt -154.27 164.64 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 O-C-N 125.258 1.599 . . . . 1.72 107.728 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -115.24 -32.91 5.51 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 126.094 2.121 . . . . 2.71 112.386 170.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.9 138.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 N-CA-C 107.593 -1.262 . . . . 2.52 107.593 174.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.7 t -105.1 102.32 35.5 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 106.902 -1.518 . . . . 1.6399999999999999 106.902 164.826 -175.612 165.139 -68.75 102.559 2.028 100.35 -157.152 65.814 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.61 -117.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.367 1.513 0 N-CA-C 104.811 -2.804 . . . . 1.79 104.811 164.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.48 -167.58 1.25 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 113.493 -1.685 . . . . 3.5800000000000001 108.14 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.32 149.22 51.9 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 101.131 -3.655 . . . . 2.0600000000000001 101.131 -169.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.98 -179.29 4.64 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 126.031 2.082 . . . . 1.8700000000000001 105.443 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.22 19.39 14.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 124.772 1.295 . . . . 1.3500000000000001 111.532 171.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.08 -39.84 2.89 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 125.074 1.483 . . . . 1.54 109.193 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 17.8 m -129.3 140.91 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 N-CA-C 103.997 -2.594 . . . . 1.1599999999999999 103.997 -175.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.746 ' HB2' ' HB2' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -89.79 103.85 16.46 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 103.188 -2.893 . . . . 2.21 103.188 173.508 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -84.98 102.71 13.4 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 106.031 -1.84 . . . . 1.54 106.031 163.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -104.82 76.31 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-O 123.477 1.608 . . . . 1.1200000000000001 107.639 167.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -68.27 162.18 25.65 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 112.076 -2.329 . . . . 1.49 105.609 174.236 65.814 -157.152 -68.75 100.35 2.028 102.559 165.139 -175.612 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.655 ' SG ' ' NH2' ' A' ' 36' ' ' ARG . 11.3 p -171.62 159.42 5.42 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 102.924 -2.991 . . . . 1.77 102.924 172.876 52.179 82.916 -95.692 105.947 2.038 109.677 -136.508 -5.204 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.421 ' HA ' ' OD1' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -119.8 17.67 12.65 Favored 'General case' 0 CA--C 1.558 1.28 0 O-C-N 127.385 2.928 . . . . 2.4100000000000001 110.534 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.9 p -85.56 -165.66 1.29 Allowed 'General case' 0 C--N 1.355 0.821 0 C-N-CA 114.859 -2.736 . . . . 2.4300000000000002 108.554 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.3 -28.09 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.816 1.784 . . . . 3.4100000000000001 115.816 170.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.543 ' C ' ' SG ' ' A' ' 59' ' ' CYS . 1.8 mtt180 -103.22 20.49 17.61 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 107.836 -1.172 . . . . 3.0800000000000001 107.836 -170.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.543 ' SG ' ' C ' ' A' ' 58' ' ' ARG 0.312 0.0 OUTLIER -150.82 -80.17 0.12 Allowed 'General case' 0 N--CA 1.426 -1.631 0 O-C-N 125.372 1.67 . . . . 2.3399999999999999 107.13 -172.897 -5.204 -136.508 -95.692 109.677 2.038 105.947 82.916 52.179 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.656 ' HB3' ' O ' ' A' ' 19' ' ' ASN . 25.3 p-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 116.455 -1.736 . . . . 3.23 113.575 -178.319 . . . . . . . . 1 1 . 1 stop_ save_