data_1jxc_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 1jxc _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.31 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 5' ' ' GLU . 7.5 mt-10 -137.79 93.61 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.12 60.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 3' ' ' GLU . 1.7 mt-10 -67.03 107.54 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -129.26 127.07 40.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.405 ' O ' ' CD ' ' A' ' 7' ' ' GLN . 2.2 tm0? 61.04 113.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.52 -24.39 6.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -162.12 52.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -108.59 -67.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 2.7 t 75.22 28.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 179.996 -152.641 -133.044 89.951 104.425 2.113 97.92 125.212 -140.367 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 61' ' ' ASP . 4.5 mm? -128.4 142.4 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -118.87 153.04 35.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.36 148.04 25.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.591 ' CE1' ' OD1' ' A' ' 40' ' ' ASN . 1.6 t80 178.55 119.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 57' ' ' LYS . . . 122.6 149.11 7.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.98 13.24 4.14 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -153.11 28.94 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -133.69 41.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.66 -138.46 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 25' ' ' ALA . 5.6 t80 -61.2 -36.89 81.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.79 -33.46 0.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 2.9 t80 -85.62 -49.31 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -69.34 -159.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.302 179.986 -133.256 120.679 23.036 105.537 2.022 108.005 149.264 -0.482 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . . . 81.2 120.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.02 5.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -140.4 -48.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 29' ' ' PHE . 7.4 tp -125.22 156.05 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.445 ' N ' HG13 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -131.11 71.05 82.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HB2' ' CG1' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.0 -9.55 20.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.527 ' O ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER 44.91 52.6 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.487 ' CG1' ' HB2' ' A' ' 30' ' ' PRO . 19.5 mm -82.28 -51.34 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 35.2 t -58.6 -19.78 41.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.281 -179.98 -171.171 113.323 -85.695 109.602 1.969 137.294 -154.046 -168.894 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.512 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 39.1 t80 -70.83 -49.6 44.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 t -75.33 -33.69 61.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -46.01 51.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' CYS . 44.4 t -67.12 -24.93 65.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 108.264 -179.982 -175.213 131.342 -120.477 103.405 2.104 101.681 -154.224 -107.358 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -40.56 79.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.64 -41.19 66.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.591 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 26.4 m-80 -73.08 -19.26 61.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' ALA . 22.0 mmtt 60.68 -100.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 62' ' ' PHE . . . -39.69 96.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' LYS . . . -179.26 118.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -83.6 -60.09 2.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.22 -148.11 6.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.27 -164.65 34.52 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -130.18 167.48 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 129.55 47.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 108.268 -179.961 -0.482 149.264 23.036 108.005 2.022 105.537 120.679 -133.256 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.478 ' O ' ' O ' ' A' ' 50' ' ' TRP . 6.8 mtt180 -94.23 155.52 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -43.79 -95.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 52' ' ' GLN . . . 39.71 -163.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.563 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 8.2 tt0 153.7 88.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' OD1' ' A' ' 18' ' ' ASP . . . 122.74 -50.57 0.84 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.74 39.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.38 -57.91 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' CG2' ' HA3' ' A' ' 51' ' ' GLY . 24.3 m -103.25 -168.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -135.31 160.6 37.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.474 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 22.2 t -89.16 135.93 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 108.322 179.976 -168.894 -154.046 -85.695 137.294 1.969 109.602 113.323 -171.171 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.36 133.44 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.39 111.64 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 108.278 179.998 -107.358 -154.224 -120.477 101.681 2.104 103.405 131.342 -175.213 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.556 ' HB2' ' HA ' ' A' ' 12' ' ' LEU . 7.6 t70 -130.22 142.27 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CE2' ' HA3' ' A' ' 42' ' ' GLY . 83.3 m-85 -54.65 -17.08 2.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -57.21 -76.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.295 -179.997 -140.367 125.212 89.951 97.92 2.113 104.425 -133.044 -152.641 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 63' ' ' CYS . . . 26.04 -94.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' CYS . 0.4 OUTLIER -144.27 -161.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 p -72.93 113.67 23.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 58.76 5.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.31 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 5' ' ' GLU . 7.5 mt-10 -137.79 93.61 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.12 60.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 3' ' ' GLU . 1.7 mt-10 -67.03 107.54 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -129.26 127.07 40.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.405 ' CD ' ' O ' ' A' ' 7' ' ' GLN . 2.2 tm0? 61.04 113.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.52 -24.39 6.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -162.12 52.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -108.59 -67.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.723 ' O ' HD22 ' A' ' 12' ' ' LEU . 2.7 t 75.22 28.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 179.996 -152.641 -133.044 89.951 104.425 2.113 97.92 125.212 -140.367 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 11' ' ' CYS . 4.5 mm? -128.4 142.4 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.593 ' C ' HD23 ' A' ' 59' ' ' LEU . 1.2 mtmt -118.87 153.04 35.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.36 148.04 25.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.591 ' CE1' ' OD1' ' A' ' 40' ' ' ASN . 1.6 t80 178.55 119.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 57' ' ' LYS . . . 122.6 149.11 7.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.98 13.24 4.14 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -153.11 28.94 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.643 ' CG1' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -133.69 41.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.66 -138.46 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.84 ' CE2' ' HB2' ' A' ' 25' ' ' ALA . 5.6 t80 -61.2 -36.89 81.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.79 -33.46 0.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 2.9 t80 -85.62 -49.31 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.655 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -69.34 -159.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.302 179.986 -133.256 120.679 23.036 105.537 2.022 108.005 149.264 -0.482 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.84 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . . . 81.2 120.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.02 5.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -140.4 -48.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 29' ' ' PHE . 7.4 tp -125.22 156.05 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' N ' HG13 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -131.11 71.05 82.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.486 ' HB2' ' CG1' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.0 -9.55 20.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.527 ' O ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER 44.91 52.6 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.643 HG22 ' CG1' ' A' ' 19' ' ' VAL . 19.5 mm -82.28 -51.34 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 35.2 t -58.6 -19.78 41.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.281 -179.98 -171.171 113.323 -85.695 109.602 1.969 137.294 -154.046 -168.894 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.513 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 39.1 t80 -70.83 -49.6 44.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 32' ' ' ILE . 13.2 t -75.33 -33.69 61.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -46.01 51.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' CYS . 44.4 t -67.12 -24.93 65.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 108.264 -179.982 -175.213 131.342 -120.477 103.405 2.104 101.681 -154.224 -107.358 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -40.56 79.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.64 -41.19 66.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.591 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 26.4 m-80 -73.08 -19.26 61.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' ALA . 22.0 mmtt 60.68 -100.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 62' ' ' PHE . . . -39.69 96.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' LYS . . . -179.26 118.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -83.6 -60.09 2.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.22 -148.11 6.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.27 -164.65 34.52 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -130.18 167.48 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 129.55 47.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 108.268 -179.961 -0.482 149.264 23.036 108.005 2.022 105.537 120.679 -133.256 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' C ' HG21 ' A' ' 56' ' ' VAL . 6.8 mtt180 -94.23 155.52 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -43.79 -95.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.895 ' HA3' HG22 ' A' ' 56' ' ' VAL . . . 39.71 -163.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.563 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 8.2 tt0 153.7 88.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' OD1' ' A' ' 18' ' ' ASP . . . 122.74 -50.57 0.84 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.74 39.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.38 -57.91 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.895 HG22 ' HA3' ' A' ' 51' ' ' GLY . 24.3 m -103.25 -168.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -135.31 160.6 37.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.577 ' HB2' HG23 ' A' ' 19' ' ' VAL . 22.2 t -89.16 135.93 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 108.322 179.976 -168.894 -154.046 -85.695 137.294 1.969 109.602 113.323 -171.171 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.593 HD23 ' C ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -100.36 133.44 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.39 111.64 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 108.278 179.998 -107.358 -154.224 -120.477 101.681 2.104 103.405 131.342 -175.213 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.565 ' HB2' ' HA ' ' A' ' 12' ' ' LEU . 7.6 t70 -130.22 142.27 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CE2' ' HA3' ' A' ' 42' ' ' GLY . 83.3 m-85 -54.65 -17.08 2.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -57.21 -76.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.295 -179.997 -140.367 125.212 89.951 97.92 2.113 104.425 -133.044 -152.641 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 63' ' ' CYS . . . 26.04 -94.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' CYS . 0.4 OUTLIER -144.27 -161.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 p -72.93 113.67 23.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 58.76 5.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.31 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 5' ' ' GLU . 7.5 mt-10 -137.79 93.61 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.12 60.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 3' ' ' GLU . 1.7 mt-10 -67.03 107.54 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -129.26 127.07 40.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.405 ' O ' ' CD ' ' A' ' 7' ' ' GLN . 2.2 tm0? 61.04 113.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.52 -24.39 6.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -162.12 52.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -108.59 -67.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.723 ' O ' HD22 ' A' ' 12' ' ' LEU . 2.7 t 75.22 28.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 179.996 -152.641 -133.044 89.951 104.425 2.113 97.92 125.212 -140.367 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 11' ' ' CYS . 4.5 mm? -128.4 142.4 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.593 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.2 mtmt -118.87 153.04 35.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.36 148.04 25.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.591 ' CE1' ' OD1' ' A' ' 40' ' ' ASN . 1.6 t80 178.55 119.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 57' ' ' LYS . . . 122.6 149.11 7.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.98 13.24 4.14 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -153.11 28.94 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.643 ' CG1' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -133.69 41.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.66 -138.46 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.84 ' CE2' ' HB2' ' A' ' 25' ' ' ALA . 5.6 t80 -61.2 -36.89 81.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.79 -33.46 0.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 33' ' ' CYS . 2.9 t80 -85.62 -49.31 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.655 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -69.34 -159.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.302 179.986 -133.256 120.679 23.036 105.537 2.022 108.005 149.264 -0.482 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.84 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . . . 81.2 120.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.02 5.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -140.4 -48.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 29' ' ' PHE . 7.4 tp -125.22 156.05 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' N ' HG13 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -131.11 71.05 82.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.486 ' C ' ' CG2' ' A' ' 31' ' ' THR . 18.3 Cg_endo -75.0 -9.55 20.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.527 ' O ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER 44.91 52.6 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.643 HG22 ' CG1' ' A' ' 19' ' ' VAL . 19.5 mm -82.28 -51.34 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 35.2 t -58.6 -19.78 41.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.281 -179.98 -171.171 113.323 -85.695 109.602 1.969 137.294 -154.046 -168.894 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.513 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 39.1 t80 -70.83 -49.6 44.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 32' ' ' ILE . 13.2 t -75.33 -33.69 61.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -46.01 51.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' CYS . 44.4 t -67.12 -24.93 65.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 108.264 -179.982 -175.213 131.342 -120.477 103.405 2.104 101.681 -154.224 -107.358 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -40.56 79.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.64 -41.19 66.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.591 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 26.4 m-80 -73.08 -19.26 61.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' ALA . 22.0 mmtt 60.68 -100.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 62' ' ' PHE . . . -39.69 96.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' LYS . . . -179.26 118.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -83.6 -60.09 2.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.22 -148.11 6.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.27 -164.65 34.52 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -130.18 167.48 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 129.55 47.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 108.268 -179.961 -0.482 149.264 23.036 108.005 2.022 105.537 120.679 -133.256 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' C ' HG21 ' A' ' 56' ' ' VAL . 6.8 mtt180 -94.23 155.52 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -43.79 -95.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.895 ' HA3' HG22 ' A' ' 56' ' ' VAL . . . 39.71 -163.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.563 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 8.2 tt0 153.7 88.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' OD1' ' A' ' 18' ' ' ASP . . . 122.74 -50.57 0.84 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.74 39.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.38 -57.91 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.895 HG22 ' HA3' ' A' ' 51' ' ' GLY . 24.3 m -103.25 -168.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -135.31 160.6 37.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.577 ' HB2' HG23 ' A' ' 19' ' ' VAL . 22.2 t -89.16 135.93 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 108.322 179.976 -168.894 -154.046 -85.695 137.294 1.969 109.602 113.323 -171.171 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -100.36 133.44 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.39 111.64 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 108.278 179.998 -107.358 -154.224 -120.477 101.681 2.104 103.405 131.342 -175.213 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.565 ' HB2' ' HA ' ' A' ' 12' ' ' LEU . 7.6 t70 -130.22 142.27 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CE2' ' HA3' ' A' ' 42' ' ' GLY . 83.3 m-85 -54.65 -17.08 2.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -57.21 -76.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.295 -179.997 -140.367 125.212 89.951 97.92 2.113 104.425 -133.044 -152.641 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 63' ' ' CYS . . . 26.04 -94.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' CYS . 0.4 OUTLIER -144.27 -161.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 p -72.93 113.67 23.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 58.76 5.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 stop_ save_