data_1tin_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 1tin _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 ' 0' ' ' ACE . . . . . 0.461 ' O ' ' N ' ' A' ' 2' ' ' SER . . . . . . . . 0 C--O 1.215 -0.747 . . . . . . . . 5.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -20.03 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.472 -0.891 . . . . 4.9000000000000004 110.162 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 0' ' ' ACE . 0.8 OUTLIER -140.14 132.32 28.11 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.223 -0.991 . . . . 4.0099999999999998 110.244 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 48' ' ' CYS . 3.2 m -45.7 115.83 2.98 Favored Pre-proline 0 N--CA 1.487 1.402 0 C-N-CA 119.509 -0.877 . . . . 1.6799999999999999 109.838 -179.984 -37.076 175.317 -0.683 104.406 2.02 104.574 -149.486 -55.074 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -56.77 99.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.167 1.911 . . . . 2.1600000000000001 110.616 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.62 -134.4 1.7 Allowed Glycine 0 N--CA 1.488 2.119 0 N-CA-C 108.988 -1.645 . . . . 1.1299999999999999 108.988 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.938 ' HB3' HD13 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -90.48 121.59 32.57 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.525 -0.87 . . . . 0.95999999999999996 109.586 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.4 ' HG ' ' H ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -59.25 -68.71 0.25 Allowed 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.038 -1.065 . . . . 1.74 109.385 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 89.9 p -160.15 138.23 10.03 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.351 -0.94 . . . . 1.01 110.192 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.794 ' CH2' HG22 ' A' ' 51' ' ' VAL . 3.4 m-90 -79.88 155.66 75.28 Favored Pre-proline 0 C--N 1.305 -1.336 0 C-N-CA 119.469 -0.893 . . . . 0.57999999999999996 109.58 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.614 ' HD2' HD12 ' A' ' 12' ' ' LEU . 10.5 Cg_endo -66.58 -133.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.185 1.923 . . . . 0.81000000000000005 110.406 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.51 ' C ' HD13 ' A' ' 12' ' ' LEU . 2.1 t-160 -90.63 91.94 8.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.45 -0.9 . . . . 3.4500000000000002 109.861 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.717 ' CD1' ' HB3' ' A' ' 9' ' ' TRP . 6.1 mp -109.19 -43.51 4.14 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.316 -0.954 . . . . 2.3799999999999999 109.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.756 HG23 ' N ' ' A' ' 63' ' ' SER . 45.4 t -57.36 121.36 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 119.287 -0.965 . . . . 0.92000000000000004 109.768 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.654 ' HA2' HD21 ' A' ' 60' ' ' LEU . . . 101.04 11.54 39.4 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.196 -1.562 . . . . 1.0900000000000001 109.196 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.2 t -127.93 22.35 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 119.291 -0.964 . . . . 1.6100000000000001 109.87 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.711 ' CA ' HG22 ' A' ' 61' ' ' VAL . . . 92.76 131.14 5.58 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.473 -1.451 . . . . 1.6699999999999999 109.473 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.613 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -65.24 -48.13 73.13 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.509 -1.437 . . . . 1.1499999999999999 109.509 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -49.65 -54.35 19.04 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.361 -0.935 . . . . 1.3500000000000001 110.031 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 23' ' ' ILE . 43.0 t -52.74 -56.3 7.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 C-N-CA 119.345 -0.942 . . . . 0.78000000000000003 109.969 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.646 ' HB2' HD12 ' A' ' 53' ' ' ILE . . . -53.09 -40.03 63.8 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.307 -0.957 . . . . 0.68000000000000005 109.893 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.77 ' HB2' HD13 ' A' ' 35' ' ' ILE . 48.7 tttp -57.91 -50.17 74.27 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.348 -0.941 . . . . 2.0099999999999998 109.661 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 26' ' ' ARG . . . -57.02 -41.84 79.29 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.401 -0.92 . . . . 0.51000000000000001 109.858 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.622 HG23 ' HD1' ' A' ' 9' ' ' TRP . 1.7 mt -63.32 -27.47 43.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 C-N-CA 119.424 -0.911 . . . . 0.63 109.848 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.992 HD12 HG13 ' A' ' 51' ' ' VAL . 12.9 mt -70.0 -49.96 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 119.324 -0.95 . . . . 0.47999999999999998 109.503 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.38 -32.87 68.98 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.317 -0.953 . . . . 1.8400000000000001 109.374 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -71.91 -38.43 69.92 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.637 -0.825 . . . . 3.3500000000000001 109.825 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.752 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 4.2 tt0 -81.4 -33.0 32.5 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.434 -0.907 . . . . 1.48 109.67 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.661 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 27.4 t-20 -146.24 76.0 12.43 Favored Pre-proline 0 N--CA 1.486 1.351 0 C-N-CA 119.607 -0.837 . . . . 0.94999999999999996 109.725 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -58.35 -8.86 5.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.403 2.069 . . . . 0.65000000000000002 110.545 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 2.6 m120 -82.79 -33.94 27.16 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.361 -0.936 . . . . 1.48 110.029 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.689 ' CG1' ' HA ' ' A' ' 49' ' ' ASN . 30.5 m -89.92 149.35 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 119.369 -0.933 . . . . 0.60999999999999999 109.861 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.682 ' HE2' ' HA ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -87.98 139.23 30.72 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.42 -0.912 . . . . 2.2200000000000002 109.983 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.709 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -103.7 140.61 37.36 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.401 -0.92 . . . . 0.65000000000000002 109.852 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.819 HG23 ' HA ' ' A' ' 52' ' ' ARG . 1.2 m -128.47 167.49 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 119.338 -0.945 . . . . 1.3700000000000001 110.108 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.77 HD13 ' HB2' ' A' ' 21' ' ' LYS . 15.4 mt -146.53 126.97 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 119.611 -0.836 . . . . 0.85999999999999999 109.721 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.644 ' CD2' HG21 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -160.05 168.62 25.17 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 119.248 -0.981 . . . . 0.79000000000000004 110.285 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.899 ' HA ' HG21 ' A' ' 55' ' ' VAL . 2.7 pt-20 -86.54 158.23 19.58 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.482 -0.887 . . . . 2.2200000000000002 109.578 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.598 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -44.21 124.87 4.19 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.305 -0.958 . . . . 2.7200000000000002 109.968 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.582 ' N ' ' CZ3' ' A' ' 54' ' ' TRP . . . -174.36 -98.12 0.11 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.4 -1.48 . . . . 1.02 109.4 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 m -44.68 103.4 0.33 Allowed Pre-proline 0 N--CA 1.487 1.418 0 C-N-CA 119.402 -0.919 . . . . 2.3500000000000001 110.017 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 39' ' ' GLY . 13.2 Cg_exo -59.53 147.81 89.97 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.416 2.077 . . . . 2.71 110.558 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.573 ' O ' HG21 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -137.93 150.48 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 119.486 -0.886 . . . . 2.2599999999999998 109.724 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 42' ' ' VAL . 19.0 p -157.93 -138.09 0.06 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.401 -0.92 . . . . 3.6600000000000001 109.946 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -40.84 6.68 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.366 -0.934 . . . . 5.8499999999999996 109.777 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -80.92 123.99 28.75 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.296 -0.962 . . . . 3.9100000000000001 109.814 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.505 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 21.4 t80 -160.39 168.64 24.76 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 119.512 -0.875 . . . . 5.0800000000000001 109.993 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.848 ' HB2' ' HB2' ' A' ' 50' ' ' ARG . 3.6 mmt180 -94.48 104.26 16.22 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.341 -0.944 . . . . 4.2300000000000004 109.424 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 59.0 m -57.35 -40.57 78.32 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.482 -0.887 . . . . 1.1699999999999999 109.895 -179.981 -55.074 -149.486 -0.683 104.574 2.02 104.406 175.317 -37.076 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.689 ' HA ' ' CG1' ' A' ' 31' ' ' VAL . 2.5 p-10 -90.25 33.66 0.88 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.409 -0.917 . . . . 1.6399999999999999 109.984 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.848 ' HB2' ' HB2' ' A' ' 47' ' ' ARG . 5.6 mtm180 -151.65 126.25 9.52 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.343 -0.943 . . . . 2.2200000000000002 110.183 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.992 HG13 HD12 ' A' ' 24' ' ' ILE . 15.3 t -115.77 104.58 16.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 C-N-CA 119.4 -0.92 . . . . 0.59999999999999998 109.379 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.819 ' HA ' HG23 ' A' ' 34' ' ' VAL . 14.8 mtt180 -84.12 164.3 19.29 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.519 -0.873 . . . . 1.4199999999999999 110.976 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.943 HG22 ' HB3' ' A' ' 63' ' ' SER . 7.8 mt -131.38 110.0 16.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 124.299 1.0 . . . . 0.65000000000000002 108.515 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.632 ' CH2' HD13 ' A' ' 36' ' ' LEU . 95.6 m95 -83.94 165.46 18.66 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.021 -1.072 . . . . 0.75 110.703 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.899 HG21 ' HA ' ' A' ' 37' ' ' GLU . 27.3 m -143.7 129.6 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 124.03 0.831 . . . . 0.96999999999999997 109.147 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.581 HD21 ' HB2' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -104.77 129.64 52.99 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.329 -0.948 . . . . 1.3600000000000001 110.429 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' C ' ' N ' ' A' ' 59' ' ' GLY . 0.5 OUTLIER -47.4 -19.37 0.16 Allowed 'General case' 0 N--CA 1.485 1.282 0 O-C-N 124.198 0.936 . . . . 3.98 109.512 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.581 ' HB2' HD21 ' A' ' 56' ' ' ASN . 18.7 mmt180 -49.1 -14.55 0.08 Allowed 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 119.349 -0.94 . . . . 3.0800000000000001 109.353 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.588 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . 99.79 36.7 4.16 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 109.13 -1.588 . . . . 0.78000000000000003 109.13 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.654 HD21 ' HA2' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -158.7 154.33 26.19 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.843 -1.143 . . . . 1.0900000000000001 110.382 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.743 HG11 ' H ' ' A' ' 62' ' ' VAL . 21.4 t -87.04 175.1 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 C-N-CA 119.626 -0.83 . . . . 0.80000000000000004 109.997 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.743 ' H ' HG11 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -155.4 66.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 124.034 0.834 . . . . 0.71999999999999997 109.728 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.943 ' HB3' HG22 ' A' ' 53' ' ' ILE . 84.6 p -90.32 112.38 52.41 Favored Pre-proline 0 N--CA 1.486 1.37 0 C-N-CA 119.64 -0.824 . . . . 1.3300000000000001 109.44 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' C ' ' H ' ' A' ' 66' ' ' ARG . 14.7 Cg_exo -57.38 101.15 0.1 Allowed 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.268 1.979 . . . . 0.63 110.823 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.753 ' HD3' ' O ' ' A' ' 63' ' ' SER . 6.2 Cg_exo -68.82 29.48 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.427 2.085 . . . . 0.77000000000000002 110.487 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.549 ' H ' ' C ' ' A' ' 64' ' ' PRO . 7.2 ptt85 -148.6 133.59 18.14 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 119.145 -1.022 . . . . 3.27 110.227 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.938 HD13 ' HB3' ' A' ' 6' ' ' LYS . 36.7 mt -106.85 170.94 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 119.309 -0.956 . . . . 1.53 109.958 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.833 ' N ' HG21 ' A' ' 67' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 116.327 -2.374 . . . . 2.4700000000000002 109.43 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.461 ' O ' ' N ' ' A' ' 2' ' ' SER . . . . . . . . 0 C--O 1.215 -0.747 . . . . . . . . 5.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -20.03 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.472 -0.891 . . . . 4.9 110.162 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 0' ' ' ACE . 0.8 OUTLIER -140.14 132.32 28.11 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.223 -0.991 . . . . 4.01 110.244 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 48' ' ' CYS . 3.2 m -45.7 115.83 2.98 Favored Pre-proline 0 N--CA 1.487 1.402 0 C-N-CA 119.509 -0.877 . . . . 1.68 109.838 -179.984 -37.076 175.317 -0.683 104.406 2.02 104.574 -149.486 -55.074 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -56.77 99.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.167 1.911 . . . . 2.16 110.616 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.62 -134.4 1.7 Allowed Glycine 0 N--CA 1.488 2.119 0 N-CA-C 108.988 -1.645 . . . . 1.13 108.988 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.814 ' HB3' ' CD1' ' A' ' 67' ' ' ILE . 0.1 OUTLIER -90.48 121.59 32.57 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.525 -0.87 . . . . 0.96 109.586 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -68.71 0.25 Allowed 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.038 -1.065 . . . . 1.74 109.385 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.509 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 89.9 p -160.15 138.23 10.03 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.351 -0.94 . . . . 1.01 110.192 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 1.113 ' CH2' HG21 ' A' ' 51' ' ' VAL . 3.4 m-90 -79.88 155.66 75.28 Favored Pre-proline 0 C--N 1.305 -1.336 0 C-N-CA 119.469 -0.893 . . . . 0.58 109.58 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' HD11 ' A' ' 12' ' ' LEU . 10.5 Cg_endo -66.58 -133.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.185 1.923 . . . . 0.81 110.406 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.559 ' C ' HD12 ' A' ' 12' ' ' LEU . 2.1 t-160 -90.63 91.94 8.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.45 -0.9 . . . . 3.45 109.861 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.837 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.1 mp -109.19 -43.51 4.14 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.316 -0.954 . . . . 2.38 109.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.001 HG22 ' N ' ' A' ' 63' ' ' SER . 45.4 t -57.36 121.36 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 119.287 -0.965 . . . . 0.92 109.768 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.683 ' HA2' HD23 ' A' ' 60' ' ' LEU . . . 101.04 11.54 39.4 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.196 -1.562 . . . . 1.09 109.196 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 15' ' ' VAL . 11.2 t -127.93 22.35 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 119.291 -0.964 . . . . 1.61 109.87 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.792 ' C ' HG21 ' A' ' 61' ' ' VAL . . . 92.76 131.14 5.58 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.473 -1.451 . . . . 1.67 109.473 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.983 ' N ' HG21 ' A' ' 61' ' ' VAL . . . -65.24 -48.13 73.13 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.509 -1.437 . . . . 1.15 109.509 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -49.65 -54.35 19.04 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.361 -0.935 . . . . 1.35 110.031 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 23' ' ' ILE . 43.0 t -52.74 -56.3 7.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 C-N-CA 119.345 -0.942 . . . . 0.78 109.969 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.676 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -53.09 -40.03 63.8 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.307 -0.957 . . . . 0.68 109.893 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.898 ' HA ' HD12 ' A' ' 24' ' ' ILE . 48.7 tttp -57.91 -50.17 74.27 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.348 -0.941 . . . . 2.01 109.661 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 26' ' ' ARG . . . -57.02 -41.84 79.29 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.401 -0.92 . . . . 0.51 109.858 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.524 ' O ' ' HB2' ' A' ' 27' ' ' GLN . 1.7 mt -63.32 -27.47 43.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 C-N-CA 119.424 -0.911 . . . . 0.63 109.848 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.92 HG12 HG11 ' A' ' 51' ' ' VAL . 12.9 mt -70.0 -49.96 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 119.324 -0.95 . . . . 0.48 109.503 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.38 -32.87 68.98 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.317 -0.953 . . . . 1.84 109.374 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -71.91 -38.43 69.92 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.637 -0.825 . . . . 3.35 109.825 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.732 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 4.2 tt0 -81.4 -33.0 32.5 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.434 -0.907 . . . . 1.48 109.67 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.686 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 27.4 t-20 -146.24 76.0 12.43 Favored Pre-proline 0 N--CA 1.486 1.351 0 C-N-CA 119.607 -0.837 . . . . 0.95 109.725 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -58.35 -8.86 5.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.403 2.069 . . . . 0.65 110.545 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 2.6 m120 -82.79 -33.94 27.16 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.361 -0.936 . . . . 1.48 110.029 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.992 HG12 ' HA ' ' A' ' 49' ' ' ASN . 30.5 m -89.92 149.35 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 119.369 -0.933 . . . . 0.61 109.861 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.638 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -87.98 139.23 30.72 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.42 -0.912 . . . . 2.22 109.983 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.599 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . . . -103.7 140.61 37.36 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.401 -0.92 . . . . 0.65 109.852 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.84 HG22 ' HA ' ' A' ' 52' ' ' ARG . 1.2 m -128.47 167.49 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 119.338 -0.945 . . . . 1.37 110.108 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 21' ' ' LYS . 15.4 mt -146.53 126.97 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 119.611 -0.836 . . . . 0.86 109.721 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.72 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -160.05 168.62 25.17 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 119.248 -0.981 . . . . 0.79 110.285 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.777 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 2.7 pt-20 -86.54 158.23 19.58 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.482 -0.887 . . . . 2.22 109.578 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -44.21 124.87 4.19 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.305 -0.958 . . . . 2.72 109.968 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.582 ' N ' ' CZ3' ' A' ' 54' ' ' TRP . . . -174.36 -98.12 0.11 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.4 -1.48 . . . . 1.02 109.4 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 m -44.68 103.4 0.33 Allowed Pre-proline 0 N--CA 1.487 1.418 0 C-N-CA 119.402 -0.919 . . . . 2.35 110.017 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 39' ' ' GLY . 13.2 Cg_exo -59.53 147.81 89.97 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.416 2.077 . . . . 2.71 110.558 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.509 ' C ' HG23 ' A' ' 43' ' ' THR . 1.0 OUTLIER -137.93 150.48 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 119.486 -0.886 . . . . 2.26 109.724 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.509 HG23 ' C ' ' A' ' 42' ' ' VAL . 19.0 p -157.93 -138.09 0.06 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.401 -0.92 . . . . 3.66 109.946 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -40.84 6.68 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.366 -0.934 . . . . 5.85 109.777 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -80.92 123.99 28.75 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.296 -0.962 . . . . 3.91 109.814 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.533 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 21.4 t80 -160.39 168.64 24.76 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 119.512 -0.875 . . . . 5.08 109.993 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.881 ' HB2' ' HB2' ' A' ' 50' ' ' ARG . 3.6 mmt180 -94.48 104.26 16.22 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.341 -0.944 . . . . 4.23 109.424 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 59.0 m -57.35 -40.57 78.32 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.482 -0.887 . . . . 1.17 109.895 -179.981 -55.074 -149.486 -0.683 104.574 2.02 104.406 175.317 -37.076 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.992 ' HA ' HG12 ' A' ' 31' ' ' VAL . 2.5 p-10 -90.25 33.66 0.88 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.409 -0.917 . . . . 1.64 109.984 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.881 ' HB2' ' HB2' ' A' ' 47' ' ' ARG . 5.6 mtm180 -151.65 126.25 9.52 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.343 -0.943 . . . . 2.22 110.183 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.113 HG21 ' CH2' ' A' ' 9' ' ' TRP . 15.3 t -115.77 104.58 16.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 C-N-CA 119.4 -0.92 . . . . 0.6 109.379 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.84 ' HA ' HG22 ' A' ' 34' ' ' VAL . 14.8 mtt180 -84.12 164.3 19.29 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.519 -0.873 . . . . 1.42 110.976 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.969 HG23 ' HB3' ' A' ' 63' ' ' SER . 7.8 mt -131.38 110.0 16.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 124.299 1.0 . . . . 0.65 108.515 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.914 ' C ' HG23 ' A' ' 62' ' ' VAL . 95.6 m95 -83.94 165.46 18.66 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.021 -1.072 . . . . 0.75 110.703 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.777 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 27.3 m -143.7 129.6 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 124.03 0.831 . . . . 0.97 109.147 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.61 HD22 ' HB2' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -104.77 129.64 52.99 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.329 -0.948 . . . . 1.36 110.429 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' C ' ' N ' ' A' ' 59' ' ' GLY . 0.5 OUTLIER -47.4 -19.37 0.16 Allowed 'General case' 0 N--CA 1.485 1.282 0 O-C-N 124.198 0.936 . . . . 3.98 109.512 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.61 ' HB2' HD22 ' A' ' 56' ' ' ASN . 18.7 mmt180 -49.1 -14.55 0.08 Allowed 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 119.349 -0.94 . . . . 3.08 109.353 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.594 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . 99.79 36.7 4.16 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 109.13 -1.588 . . . . 0.78 109.13 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.683 HD23 ' HA2' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -158.7 154.33 26.19 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.843 -1.143 . . . . 1.09 110.382 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.983 HG21 ' N ' ' A' ' 17' ' ' GLY . 21.4 t -87.04 175.1 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 C-N-CA 119.626 -0.83 . . . . 0.8 109.997 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.914 HG23 ' C ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -155.4 66.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 124.034 0.834 . . . . 0.72 109.728 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 1.001 ' N ' HG22 ' A' ' 13' ' ' VAL . 84.6 p -90.32 112.38 52.41 Favored Pre-proline 0 N--CA 1.486 1.37 0 C-N-CA 119.64 -0.824 . . . . 1.33 109.44 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 66' ' ' ARG . 14.7 Cg_exo -57.38 101.15 0.1 Allowed 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.268 1.979 . . . . 0.63 110.823 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.733 ' HD3' ' O ' ' A' ' 63' ' ' SER . 6.2 Cg_exo -68.82 29.48 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.427 2.085 . . . . 0.77 110.487 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.516 ' H ' ' C ' ' A' ' 64' ' ' PRO . 7.2 ptt85 -148.6 133.59 18.14 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 119.145 -1.022 . . . . 3.27 110.227 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.814 ' CD1' ' HB3' ' A' ' 6' ' ' LYS . 36.7 mt -106.85 170.94 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 119.309 -0.956 . . . . 1.53 109.958 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.709 ' N ' HG22 ' A' ' 67' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 116.327 -2.374 . . . . 2.47 109.43 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.461 ' O ' ' N ' ' A' ' 2' ' ' SER . . . . . . . . 0 C--O 1.215 -0.747 . . . . . . . . 5.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -20.03 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.472 -0.891 . . . . 4.9000000000000004 110.162 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 0' ' ' ACE . 0.8 OUTLIER -140.14 132.32 28.11 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.223 -0.991 . . . . 4.0099999999999998 110.244 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 48' ' ' CYS . 3.2 m -45.7 115.83 2.98 Favored Pre-proline 0 N--CA 1.487 1.402 0 C-N-CA 119.509 -0.877 . . . . 1.6799999999999999 109.838 -179.984 -37.076 175.317 -0.683 104.406 2.02 104.574 -149.486 -55.074 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -56.77 99.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.167 1.911 . . . . 2.1600000000000001 110.616 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.62 -134.4 1.7 Allowed Glycine 0 N--CA 1.488 2.119 0 N-CA-C 108.988 -1.645 . . . . 1.1299999999999999 108.988 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.814 ' HB3' ' CD1' ' A' ' 67' ' ' ILE . 0.1 OUTLIER -90.48 121.59 32.57 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.525 -0.87 . . . . 0.95999999999999996 109.586 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -68.71 0.25 Allowed 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.038 -1.065 . . . . 1.74 109.385 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.509 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 89.9 p -160.15 138.23 10.03 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.351 -0.94 . . . . 1.01 110.192 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 1.113 ' CH2' HG21 ' A' ' 51' ' ' VAL . 3.4 m-90 -79.88 155.66 75.28 Favored Pre-proline 0 C--N 1.305 -1.336 0 C-N-CA 119.469 -0.893 . . . . 0.57999999999999996 109.58 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' HD11 ' A' ' 12' ' ' LEU . 10.5 Cg_endo -66.58 -133.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.185 1.923 . . . . 0.81000000000000005 110.406 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.559 ' C ' HD12 ' A' ' 12' ' ' LEU . 2.1 t-160 -90.63 91.94 8.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.45 -0.9 . . . . 3.4500000000000002 109.861 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.837 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.1 mp -109.19 -43.51 4.14 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.316 -0.954 . . . . 2.3799999999999999 109.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.001 HG22 ' N ' ' A' ' 63' ' ' SER . 45.4 t -57.36 121.36 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 119.287 -0.965 . . . . 0.92000000000000004 109.768 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.683 ' HA2' HD23 ' A' ' 60' ' ' LEU . . . 101.04 11.54 39.4 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.196 -1.562 . . . . 1.0900000000000001 109.196 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.533 ' O ' HG12 ' A' ' 15' ' ' VAL . 11.2 t -127.93 22.35 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 119.291 -0.964 . . . . 1.6100000000000001 109.87 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.792 ' C ' HG21 ' A' ' 61' ' ' VAL . . . 92.76 131.14 5.58 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.473 -1.451 . . . . 1.6699999999999999 109.473 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.983 ' N ' HG21 ' A' ' 61' ' ' VAL . . . -65.24 -48.13 73.13 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.509 -1.437 . . . . 1.1499999999999999 109.509 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -49.65 -54.35 19.04 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.361 -0.935 . . . . 1.3500000000000001 110.031 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 23' ' ' ILE . 43.0 t -52.74 -56.3 7.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 C-N-CA 119.345 -0.942 . . . . 0.78000000000000003 109.969 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.676 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -53.09 -40.03 63.8 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.307 -0.957 . . . . 0.68000000000000005 109.893 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.898 ' HA ' HD12 ' A' ' 24' ' ' ILE . 48.7 tttp -57.91 -50.17 74.27 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.348 -0.941 . . . . 2.0099999999999998 109.661 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 26' ' ' ARG . . . -57.02 -41.84 79.29 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.401 -0.92 . . . . 0.51000000000000001 109.858 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.524 ' O ' ' HB2' ' A' ' 27' ' ' GLN . 1.7 mt -63.32 -27.47 43.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 C-N-CA 119.424 -0.911 . . . . 0.63 109.848 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.92 HG12 HG11 ' A' ' 51' ' ' VAL . 12.9 mt -70.0 -49.96 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 119.324 -0.95 . . . . 0.47999999999999998 109.503 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.38 -32.87 68.98 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.317 -0.953 . . . . 1.8400000000000001 109.374 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -71.91 -38.43 69.92 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.637 -0.825 . . . . 3.3500000000000001 109.825 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.732 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 4.2 tt0 -81.4 -33.0 32.5 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.434 -0.907 . . . . 1.48 109.67 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.686 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 27.4 t-20 -146.24 76.0 12.43 Favored Pre-proline 0 N--CA 1.486 1.351 0 C-N-CA 119.607 -0.837 . . . . 0.94999999999999996 109.725 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -58.35 -8.86 5.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.403 2.069 . . . . 0.65000000000000002 110.545 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 2.6 m120 -82.79 -33.94 27.16 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.361 -0.936 . . . . 1.48 110.029 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.992 HG12 ' HA ' ' A' ' 49' ' ' ASN . 30.5 m -89.92 149.35 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 119.369 -0.933 . . . . 0.60999999999999999 109.861 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.638 ' HE2' ' HA ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -87.98 139.23 30.72 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.42 -0.912 . . . . 2.2200000000000002 109.983 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.599 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . . . -103.7 140.61 37.36 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.401 -0.92 . . . . 0.65000000000000002 109.852 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.84 HG22 ' HA ' ' A' ' 52' ' ' ARG . 1.2 m -128.47 167.49 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 119.338 -0.945 . . . . 1.3700000000000001 110.108 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 21' ' ' LYS . 15.4 mt -146.53 126.97 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 119.611 -0.836 . . . . 0.85999999999999999 109.721 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.72 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -160.05 168.62 25.17 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 119.248 -0.981 . . . . 0.79000000000000004 110.285 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.777 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 2.7 pt-20 -86.54 158.23 19.58 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.482 -0.887 . . . . 2.2200000000000002 109.578 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -44.21 124.87 4.19 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.305 -0.958 . . . . 2.7200000000000002 109.968 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.582 ' N ' ' CZ3' ' A' ' 54' ' ' TRP . . . -174.36 -98.12 0.11 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.4 -1.48 . . . . 1.02 109.4 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 m -44.68 103.4 0.33 Allowed Pre-proline 0 N--CA 1.487 1.418 0 C-N-CA 119.402 -0.919 . . . . 2.3500000000000001 110.017 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 39' ' ' GLY . 13.2 Cg_exo -59.53 147.81 89.97 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.416 2.077 . . . . 2.71 110.558 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.509 ' C ' HG23 ' A' ' 43' ' ' THR . 1.0 OUTLIER -137.93 150.48 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 119.486 -0.886 . . . . 2.2599999999999998 109.724 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.509 HG23 ' C ' ' A' ' 42' ' ' VAL . 19.0 p -157.93 -138.09 0.06 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.401 -0.92 . . . . 3.6600000000000001 109.946 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -40.84 6.68 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.366 -0.934 . . . . 5.8499999999999996 109.777 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -80.92 123.99 28.75 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.296 -0.962 . . . . 3.9100000000000001 109.814 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.533 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 21.4 t80 -160.39 168.64 24.76 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 119.512 -0.875 . . . . 5.0800000000000001 109.993 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.881 ' HB2' ' HB2' ' A' ' 50' ' ' ARG . 3.6 mmt180 -94.48 104.26 16.22 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.341 -0.944 . . . . 4.2300000000000004 109.424 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 59.0 m -57.35 -40.57 78.32 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.482 -0.887 . . . . 1.1699999999999999 109.895 -179.981 -55.074 -149.486 -0.683 104.574 2.02 104.406 175.317 -37.076 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.992 ' HA ' HG12 ' A' ' 31' ' ' VAL . 2.5 p-10 -90.25 33.66 0.88 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.409 -0.917 . . . . 1.6399999999999999 109.984 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.881 ' HB2' ' HB2' ' A' ' 47' ' ' ARG . 5.6 mtm180 -151.65 126.25 9.52 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.343 -0.943 . . . . 2.2200000000000002 110.183 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.113 HG21 ' CH2' ' A' ' 9' ' ' TRP . 15.3 t -115.77 104.58 16.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 C-N-CA 119.4 -0.92 . . . . 0.59999999999999998 109.379 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.84 ' HA ' HG22 ' A' ' 34' ' ' VAL . 14.8 mtt180 -84.12 164.3 19.29 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.519 -0.873 . . . . 1.4199999999999999 110.976 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.969 HG23 ' HB3' ' A' ' 63' ' ' SER . 7.8 mt -131.38 110.0 16.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 124.299 1.0 . . . . 0.65000000000000002 108.515 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.914 ' C ' HG23 ' A' ' 62' ' ' VAL . 95.6 m95 -83.94 165.46 18.66 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.021 -1.072 . . . . 0.75 110.703 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.777 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 27.3 m -143.7 129.6 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 124.03 0.831 . . . . 0.96999999999999997 109.147 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.61 HD22 ' HB2' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -104.77 129.64 52.99 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.329 -0.948 . . . . 1.3600000000000001 110.429 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' C ' ' N ' ' A' ' 59' ' ' GLY . 0.5 OUTLIER -47.4 -19.37 0.16 Allowed 'General case' 0 N--CA 1.485 1.282 0 O-C-N 124.198 0.936 . . . . 3.98 109.512 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.61 ' HB2' HD22 ' A' ' 56' ' ' ASN . 18.7 mmt180 -49.1 -14.55 0.08 Allowed 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 119.349 -0.94 . . . . 3.0800000000000001 109.353 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.594 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . 99.79 36.7 4.16 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 109.13 -1.588 . . . . 0.78000000000000003 109.13 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.683 HD23 ' HA2' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -158.7 154.33 26.19 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.843 -1.143 . . . . 1.0900000000000001 110.382 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.983 HG21 ' N ' ' A' ' 17' ' ' GLY . 21.4 t -87.04 175.1 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 C-N-CA 119.626 -0.83 . . . . 0.80000000000000004 109.997 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.914 HG23 ' C ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -155.4 66.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 124.034 0.834 . . . . 0.71999999999999997 109.728 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 1.001 ' N ' HG22 ' A' ' 13' ' ' VAL . 84.6 p -90.32 112.38 52.41 Favored Pre-proline 0 N--CA 1.486 1.37 0 C-N-CA 119.64 -0.824 . . . . 1.3300000000000001 109.44 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 66' ' ' ARG . 14.7 Cg_exo -57.38 101.15 0.1 Allowed 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.268 1.979 . . . . 0.63 110.823 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.733 ' HD3' ' O ' ' A' ' 63' ' ' SER . 6.2 Cg_exo -68.82 29.48 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.427 2.085 . . . . 0.77000000000000002 110.487 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.516 ' H ' ' C ' ' A' ' 64' ' ' PRO . 7.2 ptt85 -148.6 133.59 18.14 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 119.145 -1.022 . . . . 3.27 110.227 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.814 ' CD1' ' HB3' ' A' ' 6' ' ' LYS . 36.7 mt -106.85 170.94 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 119.309 -0.956 . . . . 1.53 109.958 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.709 ' N ' HG22 ' A' ' 67' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 116.327 -2.374 . . . . 2.4700000000000002 109.43 179.993 . . . . . . . . 1 1 . 1 stop_ save_