data_1f6u_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 1f6u _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 core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.73 -36.48 81.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.84 -19.63 44.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -57.82 -36.6 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 7.7 t80 -60.44 -13.41 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.078 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.15 -13.07 15.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -59.26 -15.61 16.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.478 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 1.3 tm0? -55.86 -27.45 51.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -23.04 26.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 12' ' ' THR . 4.8 mmtt -131.67 41.32 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.4 m 82.59 123.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.498 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 2.8 p -97.35 -175.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -125.78 108.57 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 31.3 t -70.4 115.34 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.36 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -82.72 14.86 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 111.072 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 5.5 t30 -114.5 -58.29 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -92.51 -29.02 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 100.8 -33.33 6.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.412 1.07 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -46.48 171.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HG3' ' CG2' ' A' ' 12' ' ' THR . 12.2 pt-20 -120.34 159.43 25.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.423 ' N ' HG21 ' A' ' 12' ' ' THR . . . 111.02 -30.78 7.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.566 1.167 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.652 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 15.9 p-80 -141.87 174.74 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.583 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.576 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 31.8 pt -122.12 159.18 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -52.43 -39.57 61.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HD3' ' CD1' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -40.33 -28.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.462 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -151.41 57.77 0.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.652 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.8 t -72.27 146.09 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -91.97 18.22 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.26 113.16 13.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 51.03 2.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 ptt-85 -108.07 152.33 24.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -96.14 -58.66 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -167.49 117.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -158.99 155.79 26.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' HIS . 47.0 t -74.06 107.72 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.38 11.99 15.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.017 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -39.04 8.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 26.2 p -108.4 -43.3 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 108.257 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.28 27.34 3.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.576 1.173 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.49 114.07 25.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -71.27 155.89 40.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.48 -30.09 8.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.478 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 26.2 p-80 -132.16 -176.15 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 0.698 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.7 pt20 -129.83 170.2 14.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -54.65 -48.1 72.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -59.23 -15.85 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -123.67 29.04 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 19.4 t -72.87 150.38 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.307 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.0 p -88.34 -26.19 22.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.403 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.67 93.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.94 -20.99 51.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.11 -36.42 72.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 0.741 . . . . 0.0 109.271 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.592 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 1.9 t80 -59.85 -13.88 12.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 62.3 mtt180 -58.43 -15.65 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -56.8 -18.15 11.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.592 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 1.2 tt0 -55.47 -26.7 43.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -56.18 -27.59 55.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -127.64 36.78 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 3.4 m 79.4 123.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 0.0 110.468 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p -92.22 -176.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -135.46 130.19 34.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -85.33 111.35 19.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -87.45 14.73 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.492 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 6.8 t30 -110.63 -48.59 3.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.02 -26.41 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.244 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 107.9 -47.46 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -38.29 141.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -103.12 158.13 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.59 -31.58 6.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.642 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 21.7 p-80 -135.04 179.28 6.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.568 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.482 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 26.5 pt -117.04 155.41 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.506 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -51.67 -37.43 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' NZ ' ' OD1' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -39.45 -30.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.471 ' OD1' ' NZ ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -148.8 57.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.642 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.4 t -70.25 149.44 47.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.189 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -57.43 -16.83 10.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -39.67 100.34 0.21 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.94 49.7 2.31 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.555 1.819 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.37 122.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 170.6 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.36 126.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.35 113.09 1.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' HIS . 43.7 t -67.6 108.03 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -91.78 20.82 5.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' CB ' ' HB2' ' A' ' 46' ' ' MET . 3.2 tptt -109.25 -34.65 6.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 27.0 p -109.61 -33.55 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 108.298 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.06 27.85 8.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.0 137.94 53.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 0.756 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -91.93 164.67 13.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.95 13.06 67.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 5.8 p-80 -173.52 175.02 3.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 0.808 . . . . 0.0 109.627 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.45 ' OE1' ' CB ' ' A' ' 47' ' ' LYS . 1.6 pt20 -131.08 167.24 19.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.437 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 14.4 tmm? -53.38 -49.88 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' CB ' ' OE1' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -53.71 -21.9 8.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -125.01 37.91 4.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.521 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.0 t -70.91 163.83 26.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.8 p -117.0 -6.81 11.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -61.37 -43.66 98.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.36 -13.13 35.27 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 14.4 t-20 -57.58 -24.62 57.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.58 ' CZ ' HD11 ' A' ' 24' ' ' ILE . 10.5 t80 -58.8 -14.3 8.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -55.91 -17.34 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 0.9 OUTLIER -60.38 -12.97 10.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -55.02 -31.36 61.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -55.53 -18.02 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -130.28 43.76 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 11' ' ' LYS . 24.7 m 74.55 149.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 3.5 p -133.95 -176.55 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -120.76 122.17 39.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.526 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 35.3 t -70.97 109.62 5.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.391 1.057 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 2.5 t80 -69.61 6.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.465 ' CB ' ' HB1' ' A' ' 25' ' ' ALA . 5.1 t30 -116.41 -82.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 17.5 p -63.46 -27.36 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 96.86 -36.21 4.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.58 148.3 3.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 2.1 pm0 -93.93 165.04 12.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.26 -33.27 5.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 25.2 p-80 -147.64 -177.32 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 109.6 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.58 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 22.9 pt -120.47 158.67 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.527 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.41 -37.09 64.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.21 -28.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -150.31 56.85 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.364 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.9 t -71.94 149.68 44.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.1 34.82 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.4 143.45 0.83 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 49.22 2.2 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.92 144.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -72.25 -59.94 2.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -129.8 116.94 19.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.14 148.18 19.31 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.587 1.179 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 42.8 t -75.71 105.94 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.13 13.0 12.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -100.63 -36.01 9.3 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 28.4 p -110.83 -44.89 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.75 29.8 2.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.27 122.05 41.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -76.4 158.74 31.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.247 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.96 -27.45 16.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 25.7 p-80 -135.07 -177.23 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 0.78 . . . . 0.0 109.654 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.42 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 2.0 pt20 -128.6 173.08 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.462 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 9.3 tmm? -54.37 -51.16 65.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.067 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 2.1 mtpp -62.24 -11.77 16.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.11 23.14 11.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.2 t -71.94 156.68 38.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 108.285 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 t -145.28 21.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 4.9 mt-30 . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 53.5 pttt -60.79 -45.32 94.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 3' ' ' LYS . . . -60.4 -13.53 30.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 19.4 t-20 -56.61 -19.29 15.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.628 ' CE1' ' CD1' ' A' ' 24' ' ' ILE . 5.6 t80 -60.22 -14.84 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -11.77 16.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -60.84 -14.32 21.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.464 ' OE1' ' CE1' ' A' ' 6' ' ' PHE . 7.3 tt0 -55.22 -26.18 37.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -54.34 -24.59 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -131.96 42.84 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.3 m 83.82 123.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.457 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 24' ' ' ILE . 1.3 p -98.77 -174.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -135.17 127.9 31.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 39.0 t -90.25 116.09 27.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 1.138 . . . . 0.0 108.253 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.445 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.8 p90 -85.59 18.71 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 7.1 t30 -116.02 -54.07 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.6 p -94.3 -26.72 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.26 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.0 34.34 18.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -122.61 145.63 48.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.384 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -88.63 157.79 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.196 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.95 -32.64 5.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.641 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 17.0 p-80 -147.47 173.95 12.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.764 . . . . 0.0 109.572 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.628 ' CD1' ' CE1' ' A' ' 6' ' ' PHE . 13.3 pt -119.35 159.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.534 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.22 -38.39 62.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HD2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.73 -28.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.465 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -151.03 57.58 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.641 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.9 t -72.31 143.57 48.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.296 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 28.75 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.83 112.83 10.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 50.83 2.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.481 1.78 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.42 -179.77 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.15 48.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.8 mttp 70.04 113.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.64 152.26 21.83 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 43.5 t -71.0 105.99 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.77 14.72 9.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -102.83 -34.19 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 29.0 p -110.74 -44.85 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 108.298 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.0 29.72 2.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.08 116.1 25.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 8.7 pm0 -73.21 157.57 36.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.02 -30.25 8.52 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.433 1.083 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 25.8 p-80 -131.96 -174.28 3.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 0.781 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.9 pt20 -131.44 168.95 16.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -53.53 -41.25 66.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.474 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 2.7 tppt? -53.99 -28.48 38.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.28 30.23 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.522 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 22.7 t -48.44 141.86 6.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' GLU . 15.1 t -128.23 2.9 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.41 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -58.65 -40.51 83.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.57 -25.38 58.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -57.3 -35.77 70.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 0.719 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.458 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 5.0 t80 -58.22 -24.5 59.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -12.55 16.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -58.76 -16.44 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.419 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.68 -33.24 66.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -19.12 14.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -130.09 41.97 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.0 m 84.59 141.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.379 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 24' ' ' ILE . 7.3 p -124.08 169.29 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 5.6 tttt -116.3 125.01 51.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 29.6 t -87.67 115.08 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.247 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.7 p90 -82.75 14.26 3.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -113.69 -57.15 2.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -93.65 -30.86 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 108.327 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 103.76 -36.73 4.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -48.35 175.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 109.303 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -124.98 162.07 25.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.96 -32.73 5.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.603 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 21.9 p-80 -139.64 -177.52 4.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.462 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 22.6 pt -122.87 158.23 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.555 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -52.46 -35.99 53.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HG2' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -41.14 -31.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.493 ' CG ' ' HG2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -148.31 56.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.603 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 41.8 t -71.2 147.45 48.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.323 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 ptt85 -111.72 30.55 6.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.9 140.95 1.38 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 49.48 2.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -164.21 153.72 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -87.01 -70.46 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -133.79 116.8 16.14 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.451 1.095 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -156.59 159.17 29.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.465 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 47.7 t -76.44 106.72 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.36 14.04 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 107.97 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.15 -36.19 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 28.2 p -110.36 -43.38 3.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.588 1.18 . . . . 0.0 108.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.56 28.72 3.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 112.79 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 7.2 pt-20 -70.41 155.93 40.03 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.614 1.196 . . . . 0.0 110.227 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.94 -29.66 9.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 26.8 p-80 -131.82 -176.57 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.75 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.7 pt20 -131.45 167.66 18.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.8 ttp -53.34 -51.42 62.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -55.13 -18.37 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -125.31 38.58 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 36.2 t -82.64 149.21 27.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.1 p -81.09 -31.1 34.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.374 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -59.21 -30.64 68.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.9 -27.33 61.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.18 -24.87 60.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 24' ' ' ILE . 66.1 t80 -60.42 -15.69 28.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -58.93 -15.9 15.14 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -58.19 -17.83 21.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.491 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 20.3 tt0 -57.67 -31.66 66.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.577 1.173 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.65 -25.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.417 1.073 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -111.54 -22.77 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.382 1.051 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.57 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 161.6 140.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.431 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.51 HG21 ' CE1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -121.48 172.85 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.083 . . . . 0.0 109.237 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.84 123.67 45.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.505 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 37.5 t -82.21 111.17 18.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.47 9.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 15' ' ' CYS . 7.5 t30 -118.87 -81.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.0 p -63.37 -24.29 67.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 89.23 -30.01 5.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -49.16 177.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -122.28 161.18 23.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.244 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.07 -32.64 6.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 18.0 p-80 -145.07 174.6 10.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.604 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.566 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 8.0 pt -117.03 154.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -52.36 -36.42 53.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.473 ' HD2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.85 -27.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.447 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -150.52 56.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.272 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 44.1 t -71.93 146.06 48.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -93.28 19.05 8.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.364 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.16 114.31 36.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 50.72 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -83.24 176.31 9.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -140.48 48.93 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 70.46 115.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.93 149.72 16.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' HIS . 42.4 t -70.3 104.29 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.09 16.69 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -105.52 -32.56 8.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.416 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 30.9 p -110.41 -44.47 3.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 108.241 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.07 30.12 2.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 111.062 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.46 117.97 26.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 12.3 pt-20 -75.87 166.56 23.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.48 -22.93 38.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.137 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 36' ' ' CYS . 20.6 p-80 -138.84 -173.38 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 0.813 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.5 pt20 -133.94 167.07 21.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -53.16 -42.81 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.86 -24.99 17.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -126.37 34.16 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.475 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 15.0 t -58.04 153.13 15.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.291 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.9 p -125.57 22.11 7.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -60.79 -41.66 96.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.098 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.37 -18.45 43.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -57.9 -35.48 71.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.628 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 3.1 t80 -59.77 -13.92 12.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -58.8 -15.29 11.64 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -60.81 -13.96 18.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 4.1 tt0 -55.69 -30.78 61.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -55.45 -20.13 11.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -130.11 43.01 3.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.9 m 84.81 145.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.472 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -122.91 -175.22 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -134.27 109.54 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 25.3 t -72.21 114.95 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 108.259 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.437 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.1 p90 -80.67 8.77 7.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.558 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 2.3 t30 -107.64 -64.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 19.1 p -83.23 -26.95 30.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 99.69 -36.43 4.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' GLY . 24.3 mttp -47.0 173.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -121.9 159.1 27.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.337 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.85 -32.55 5.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 14.2 p-80 -141.87 173.01 11.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.58 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.628 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 28.4 pt -116.18 163.2 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.92 -37.32 63.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.444 ' HG2' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -40.44 -29.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.185 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -150.38 57.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 41.8 t -73.12 113.75 10.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -89.99 18.91 5.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.6 151.91 1.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 48.13 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 165.44 -179.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 18.34 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.35 -173.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -153.08 -176.59 25.76 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.539 1.15 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.606 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 52.9 t -60.95 123.51 17.8 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.656 ' CE3' ' CE ' ' A' ' 46' ' ' MET . 14.7 m0 -70.7 -5.41 29.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -90.19 -76.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.606 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 18.2 p -67.85 -45.92 73.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 108.283 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.482 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . 97.43 43.56 2.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -117.67 126.33 52.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 0.747 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -73.37 147.31 44.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.86 -28.67 10.87 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 10.7 p-80 -132.22 160.61 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.75 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -120.42 177.15 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 110.245 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.656 ' CE ' ' CE3' ' A' ' 37' ' ' TRP . 69.5 mtm -54.52 -49.58 69.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -15.99 13.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -131.66 42.38 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.537 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 48.8 t -93.09 114.7 27.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.21 2.46 55.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -20.3 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.48 -17.94 42.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.79 -35.24 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 24' ' ' ILE . 3.7 t80 -59.14 -14.55 10.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -56.25 -17.5 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -60.48 -14.75 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.486 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 10.9 tm0? -55.96 -33.43 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -46.61 -23.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -110.52 -24.49 10.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 158.06 153.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.486 ' HB ' ' CG ' ' A' ' 9' ' ' GLN . 2.6 p -143.24 -175.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -131.1 129.33 41.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 34.6 t -94.18 111.48 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 108.321 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.29 10.08 9.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 5.4 t30 -103.68 -54.5 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -92.89 -35.88 13.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 108.352 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.15 35.12 5.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.52 148.22 50.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.184 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.17 160.03 16.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.48 -32.25 5.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.633 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 13.2 p-80 -148.88 174.71 11.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.65 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.585 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 23.9 pt -118.28 163.52 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.88 -38.54 64.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HG2' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -40.19 -29.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.493 ' CG ' ' HG2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -150.17 57.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.633 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 49.5 t -73.93 146.22 44.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -33.29 69.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.209 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -39.55 103.02 0.27 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 49.9 2.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 68.64 146.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 173.83 72.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -40.17 113.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -173.64 146.04 8.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.416 1.072 . . . . 0.0 111.001 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 44' ' ' HIS . 51.0 t -69.3 104.7 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.75 18.64 4.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 107.974 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.83 -32.15 7.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.2 p -110.2 -44.68 3.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.09 29.85 2.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.21 118.57 28.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 0.72 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -77.1 161.39 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.17 -26.88 20.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 21.6 p-80 -134.41 -172.85 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.459 ' OE1' ' CG ' ' A' ' 47' ' ' LYS . 2.2 pt20 -134.23 172.25 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.2 ttp -54.83 -48.55 72.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.459 ' CG ' ' OE1' ' A' ' 45' ' ' GLN . 27.0 mttm -62.34 -11.88 17.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.54 22.23 9.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.0 t -71.32 155.08 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.329 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.6 p -93.2 -21.52 19.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.245 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -58.76 -40.78 84.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.64 -24.95 57.8 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -58.45 -35.6 72.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.466 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 19.8 t80 -60.13 -13.25 11.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -60.77 -12.51 10.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -59.74 -13.62 10.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -55.2 -33.78 63.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.392 1.058 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -18.4 8.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' O ' ' HB ' ' A' ' 12' ' ' THR . 4.8 mttt -128.13 42.51 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 11' ' ' LYS . 25.0 m 74.65 149.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 23' ' ' HIS . 1.1 p -121.3 -174.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 13' ' ' VAL . 10.0 tttt -121.58 116.61 24.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 34.7 t -81.44 106.65 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.336 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.02 0.69 12.88 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 5.4 t30 -98.23 -76.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -70.66 -31.84 68.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 108.267 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 105.03 -31.46 8.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' GLY . 3.6 ttmt -51.71 -176.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -131.58 157.83 42.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 12' ' ' THR . . . 116.48 -33.89 4.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 25.3 p-80 -137.77 178.77 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 0.803 . . . . 0.0 109.562 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.9 pt -121.19 160.89 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.503 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.32 -37.73 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HG2' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -40.14 -29.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.459 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -150.73 57.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.64 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.2 t -69.85 151.0 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 108.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -109.2 30.24 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.53 151.93 0.24 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 48.29 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.431 1.753 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.468 ' HD3' ' CG ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER 171.22 167.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -67.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -124.55 130.58 52.72 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -160.82 147.35 13.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' HIS . 52.7 t -72.25 105.66 4.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.56 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.54 19.91 4.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -109.76 -30.81 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.7 p -110.9 -43.66 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.74 31.12 2.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -125.63 125.2 42.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 0.825 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' CG ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -82.16 167.55 18.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.6 9.06 65.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' CYS . 13.8 p-80 -171.0 -176.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.63 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.515 ' CD ' ' HB2' ' A' ' 47' ' ' LYS . 2.7 pt20 -135.04 170.52 15.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.402 ' SD ' ' HG3' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -50.38 -37.47 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HB2' ' CD ' ' A' ' 45' ' ' GLN . 2.4 mttt -57.08 -39.97 76.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -109.28 31.88 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.6 t -58.73 159.36 6.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 108.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 t -140.17 14.1 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.268 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 15.0 pttt -58.74 -40.76 84.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.4 ' N ' ' HG3' ' A' ' 3' ' ' LYS . . . -58.78 -24.95 58.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -57.33 -35.4 69.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 24' ' ' ILE . 1.7 t80 -59.07 -23.34 61.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -60.69 -14.2 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.449 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -61.4 -14.26 26.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.414 ' NE2' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -55.52 -24.58 32.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.624 1.203 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -56.14 -24.97 44.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -124.42 34.08 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.1 m 83.21 156.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.414 ' CG1' ' NE2' ' A' ' 9' ' ' GLN . 3.6 p -129.2 -176.65 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -137.93 127.78 25.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 25' ' ' ALA . 33.3 t -80.22 117.43 21.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -83.6 14.34 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 5.5 t30 -114.8 -51.92 2.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -100.43 -34.42 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.277 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 109.48 -41.84 2.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.78 150.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -103.13 160.02 15.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.68 -31.22 7.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.689 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 4.4 p-80 -139.96 -176.72 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.564 HG21 ' CZ ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -128.76 165.02 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -55.21 -52.57 62.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.502 ' HD2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.98 -25.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.493 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -145.87 58.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.689 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 42.2 t -80.64 136.27 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.248 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ALA . 35.6 mtp180 -56.81 -30.83 64.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -38.94 141.04 0.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 -32.61 5.1 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 6.1 tmm_? 72.15 132.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 7.4 tttm -169.93 46.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' LYS . 13.3 mttt 59.03 112.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 44' ' ' HIS . . . -168.29 128.68 1.75 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' HIS . 49.8 t -71.63 105.41 3.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.628 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.75 16.87 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -105.24 -33.37 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 28.7 p -109.01 -44.56 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 108.241 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.15 30.65 2.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -119.66 129.81 54.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 0.725 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.98 162.31 18.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.76 -24.52 31.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 17.2 p-80 -136.39 -174.74 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.644 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.444 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 1.4 pt20 -134.47 172.01 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttm -54.79 -47.0 74.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 1.7 mmpt? -61.24 -12.91 14.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.09 23.79 7.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.2 t -65.98 154.44 39.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 108.295 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 p -99.19 -21.97 15.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 18.6 mt-30 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -46.21 91.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.98 -12.0 34.21 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 4.9 t30 -60.96 -15.33 30.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.598 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 6.1 t80 -59.17 -14.28 10.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -58.2 -14.97 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -60.25 -13.33 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' HG2' ' CG1' ' A' ' 13' ' ' VAL . 4.9 tm0? -54.33 -28.7 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -54.54 -18.96 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 12' ' ' THR . 7.1 ttmt -136.18 44.27 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.552 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.0 m 85.68 142.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 HG22 ' CG2' ' A' ' 24' ' ' ILE . 7.7 p -127.53 169.3 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 16.0 tttt -113.24 110.46 20.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.461 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 34.3 t -63.49 107.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 108.336 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 3.4 t80 -71.12 3.63 3.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 4.0 t30 -107.3 -80.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -66.61 -31.91 72.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 105.13 -38.69 3.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.589 1.18 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -50.7 156.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -101.99 164.66 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.79 -33.31 5.27 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.7 p-80 -145.19 -178.39 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 0.821 . . . . 0.0 109.602 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.598 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 37.2 pt -121.77 162.76 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.06 -40.59 67.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HE2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -39.69 -28.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -150.11 58.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.601 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.3 t -75.88 136.98 40.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -31.69 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' CB ' ' CD ' ' A' ' 32' ' ' ARG . . . -45.46 152.66 0.64 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 48.12 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.768 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -86.38 -177.68 6.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.371 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER 90.48 -17.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.6 31.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -154.07 142.94 9.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' HIS . 43.7 t -71.62 107.19 4.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.631 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.45 16.33 7.78 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 1.6 tttp -105.76 -33.23 8.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 41' ' ' LYS . 29.9 p -112.48 -44.76 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 108.279 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.21 31.93 2.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 14.4 mttt -120.16 120.69 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 161.21 28.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.84 -2.09 56.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.578 1.174 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' CYS . 16.2 p-80 -161.95 -177.6 5.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 0.768 . . . . 0.0 109.603 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.482 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 3.0 pt20 -129.56 171.76 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 47' ' ' LYS . 1.9 ppp? -58.67 -32.5 69.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.482 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -64.03 -14.9 57.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -133.97 29.01 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.408 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 8.9 t -57.63 144.62 36.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t -118.98 13.45 13.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -57.64 -35.81 71.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.72 -15.04 32.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -58.03 -34.77 70.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 24' ' ' ILE . 1.9 t80 -60.65 -13.72 16.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -61.75 -13.13 20.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -60.34 -15.23 23.67 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -56.26 -33.36 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -55.56 -23.05 24.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.94 42.51 3.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m 71.35 121.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.401 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 1.4 p -94.56 -175.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -135.27 117.47 15.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 30.5 t -74.76 112.17 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.81 3.36 33.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 2.5 t30 -96.23 -56.3 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -91.84 -35.0 14.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 113.39 -36.98 3.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -48.59 175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.97 162.88 24.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.55 -30.44 7.85 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.069 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.583 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 11.3 p-80 -142.0 174.42 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.615 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 6' ' ' PHE . 43.7 pt -117.0 164.86 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.557 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.44 -38.17 65.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HE3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.9 -27.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.359 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -150.83 57.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.9 t -76.09 107.71 8.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 108.26 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -84.86 11.93 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 28' ' ' CYS . . . -39.34 99.79 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.07 -2.09 12.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 170.93 176.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 88.86 -14.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -49.61 117.36 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -148.16 163.71 28.92 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' HIS . 36.3 t -76.62 116.04 16.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -87.85 35.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.125 . . . . 0.0 107.985 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.94 -43.35 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.3 p -101.82 -31.15 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.251 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.13 28.2 11.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.43 125.8 51.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.436 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -82.07 157.18 24.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.16 8.49 56.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.566 1.167 . . . . 0.0 111.027 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.54 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.9 p-80 -170.02 172.61 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.624 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 2.9 pt20 -128.59 169.18 14.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.0 ttp -53.64 -42.09 67.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.59 -24.51 14.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.377 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.91 44.03 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.54 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.1 t -69.69 158.29 35.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.344 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.8 p -115.61 -6.42 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.414 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -38.04 89.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 7' ' ' ARG . . . -55.69 -16.35 11.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -56.68 -40.56 75.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 3.5 t80 -59.82 -14.37 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 9.4 ttm180 -57.68 -16.98 12.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.435 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.1 p-10 -61.56 -14.02 26.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.567 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 6.6 tt0 -56.35 -28.63 59.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -20.04 18.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -128.73 41.59 3.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.508 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.2 m 83.05 151.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 110.359 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.506 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -133.92 -175.29 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -130.21 122.4 28.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 24.6 t -85.72 113.73 22.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 108.335 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.474 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -82.81 9.21 10.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.977 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 4.8 t30 -105.76 -57.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.1 p -91.86 -31.89 15.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 108.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 106.03 -36.14 4.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLY . 5.9 mptt -47.4 173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' OE1' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -121.88 161.48 22.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.52 -31.28 6.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.637 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.1 p-80 -142.12 -179.69 6.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 36.4 pt -124.87 162.73 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -52.73 -40.37 62.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' HE3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -39.93 -28.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 109.253 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -151.17 58.37 0.9 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 45.0 t -74.06 145.2 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -94.06 21.29 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.86 109.28 1.55 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 50.72 2.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 21.7 mtt180 58.68 114.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.218 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 164.13 54.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -39.86 120.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.96 110.97 1.63 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.93 107.3 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -89.46 10.88 21.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.16 . . . . 0.0 108.007 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -37.07 10.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.49 -41.07 5.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 108.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.38 28.92 4.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -118.92 140.09 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -92.6 165.99 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.217 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.8 -8.73 76.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.964 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 11.4 p-80 -153.1 -179.5 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.617 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.506 ' OE1' ' CG ' ' A' ' 47' ' ' LYS . 4.3 pt20 -134.31 172.9 12.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -54.8 -47.74 73.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.506 ' CG ' ' OE1' ' A' ' 45' ' ' GLN . 3.2 mmpt? -58.47 -17.23 19.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.35 28.87 6.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.512 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.1 t -64.46 157.99 25.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 108.26 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.4 p -116.93 -10.43 10.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.356 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -37.12 72.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.22 -18.32 41.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -57.84 -36.02 71.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.388 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.2 t80 -60.56 -13.52 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -13.21 19.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -61.12 -14.77 26.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' OE1' ' CE1' ' A' ' 6' ' ' PHE . 1.8 tt0 -55.71 -27.47 50.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -25.08 33.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -130.01 41.18 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.243 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.6 m 81.59 123.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.498 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 2.7 p -90.4 -175.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -127.3 114.91 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 24.7 t -78.2 112.95 15.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -82.64 8.3 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 3.2 t30 -104.5 -57.3 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.6 p -92.82 -33.52 14.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 108.237 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.7 -37.28 3.89 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.9 172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 0.726 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -120.89 161.05 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.415 ' N ' HG21 ' A' ' 12' ' ' THR . . . 113.23 -31.9 6.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.115 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 9.2 p-80 -142.63 174.62 10.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.577 HD12 ' CZ ' ' A' ' 6' ' ' PHE . 6.2 pt -118.21 164.7 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.549 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.96 -38.92 65.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' HE3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.2 -27.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -151.01 57.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 49.5 t -77.28 106.76 9.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.76 7.56 14.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.6 1.187 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.437 ' CB ' ' SG ' ' A' ' 28' ' ' CYS . . . -39.76 100.01 0.21 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 18.4 Cg_endo -75.06 -3.78 14.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.588 1.836 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 172.82 115.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 1.3 mttp 165.03 -30.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -38.5 116.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -153.22 151.03 22.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' HIS . 41.9 t -68.74 106.97 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -89.94 13.68 14.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CD ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -101.1 -34.74 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 28.4 p -109.44 -42.16 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.318 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.35 28.47 3.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -120.06 119.43 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 6.6 pt-20 -77.89 159.33 28.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.13 -26.43 22.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.477 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 18.1 p-80 -134.22 -175.84 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 0.785 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 2.5 pt20 -131.49 164.22 26.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.436 ' SD ' ' CD ' ' A' ' 38' ' ' LYS . 39.4 ttp -53.5 -50.42 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' NZ ' ' HE2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -54.69 -19.86 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -124.57 37.88 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 13.9 t -76.45 153.57 35.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.405 1.066 . . . . 0.0 108.295 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.8 p -90.89 -23.67 20.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.366 1.041 . . . . 0.0 110.4 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.294 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -59.44 -42.41 91.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.51 53.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -61.87 -35.99 79.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CZ ' HD12 ' A' ' 24' ' ' ILE . 24.9 t80 -59.27 -13.51 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -57.49 -15.16 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.447 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -59.89 -13.26 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.84 -31.92 60.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -18.4 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.5 tptt -129.5 43.16 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 11' ' ' LYS . 24.8 m 74.7 152.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.525 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -125.55 -172.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -125.25 119.91 29.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 38.1 t -75.57 108.46 8.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 108.206 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 11.8 t80 -71.16 11.69 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' A' ' 15' ' ' CYS . 4.9 t30 -120.66 -82.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 17' ' ' ASN . 16.9 p -66.28 -24.56 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 108.27 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 95.79 -37.05 3.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 15' ' ' CYS . 6.5 mttt -45.5 149.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 5.4 pm0 -99.28 151.06 21.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.89 -30.63 4.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.627 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.7 p-80 -148.77 175.68 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.616 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.581 HD12 ' CZ ' ' A' ' 6' ' ' PHE . 38.6 pt -112.47 162.21 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.497 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -56.52 -38.67 72.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.26 -28.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -149.35 57.45 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.627 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 50.5 t -72.87 119.36 17.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 108.372 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.43 -27.25 69.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' CB ' ' SG ' ' A' ' 28' ' ' CYS . . . -38.74 99.43 0.19 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.99 49.22 2.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.769 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -60.82 177.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.32 47.5 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt 70.04 113.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.403 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -165.37 150.87 19.16 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.568 1.167 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 44.2 t -71.38 105.04 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.97 15.62 8.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.79 -33.57 8.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 29.7 p -110.16 -44.46 3.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 108.301 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.01 29.59 2.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -121.95 117.44 26.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -75.06 161.42 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.7 -27.05 19.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.8 p-80 -134.61 -173.73 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.598 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.465 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.8 pt20 -133.31 168.74 18.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.2 ttp -53.17 -41.7 65.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -54.13 -28.08 37.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.37 31.4 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 18.8 t -50.89 151.8 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.382 1.051 . . . . 0.0 108.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -110.73 -20.12 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.246 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -30.32 70.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.9 -24.2 53.32 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.521 1.138 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -57.53 -37.33 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.636 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 1.9 t80 -60.12 -14.55 17.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -58.47 -16.14 13.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.409 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.2 p-10 -61.22 -14.67 27.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -56.81 -31.18 64.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -57.68 -19.31 25.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -126.81 39.74 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.605 1.19 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.4 m 81.95 149.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.54 ' CG2' ' CG2' ' A' ' 24' ' ' ILE . 10.8 p -135.4 172.29 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -122.2 129.08 51.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.7 t -88.82 111.42 22.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.04 13.58 5.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 2.9 t30 -108.21 -55.63 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -99.67 -24.77 14.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 108.343 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.28 -42.14 1.97 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.77 161.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 0.721 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -113.9 174.72 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.61 -22.24 41.92 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.599 1.187 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 12.2 p-80 -149.44 173.59 13.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.509 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.636 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 39.4 pt -116.41 161.96 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.416 1.073 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.527 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.55 -38.89 64.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.48 ' CD ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.51 -28.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.375 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -150.52 57.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.2 t -74.35 148.73 41.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 0.0 108.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.67 36.36 4.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.42 153.06 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.92 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 160.59 14.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -39.18 77.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.78 125.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -114.54 108.24 1.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 48.8 t -61.42 108.32 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -90.29 12.59 17.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.612 1.195 . . . . 0.0 107.959 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.96 -39.5 8.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 25.6 p -106.23 -36.95 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 108.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.14 26.96 6.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.75 139.04 49.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 157.88 16.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.19 -23.37 35.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 9.7 p-80 -137.2 -177.4 4.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 109.628 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 2.9 pt20 -137.91 169.45 17.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -53.26 -40.87 64.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.98 -29.73 57.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -124.63 39.33 4.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 8.7 t -62.91 157.96 20.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.317 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.6 t -137.15 16.81 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.347 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -57.27 -33.36 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' A' ' 3' ' ' LYS . . . -59.51 -20.29 50.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -58.33 -35.18 71.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 t80 -60.08 -13.95 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -58.78 -15.57 12.82 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.43 -16.76 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.11 -29.87 61.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -25.13 52.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' THR . 8.4 pttt -127.57 39.26 3.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 4.0 m 77.39 122.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.45 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.513 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -94.33 -174.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -131.42 118.77 20.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 t -81.37 113.13 19.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.66 9.36 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -105.78 -56.49 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -92.91 -30.62 15.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 108.335 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.19 -36.9 4.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.19 172.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.28 166.33 15.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.98 -27.18 18.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 7.8 p-80 -145.96 163.88 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 41.3 pt -108.35 161.24 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.18 -36.2 60.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.61 -28.66 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.458 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -150.06 56.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.645 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 47.5 t -72.14 149.01 45.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HG2' ' CE1' ' A' ' 23' ' ' HIS . 13.2 ptt-85 -114.79 33.09 5.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -38.78 154.04 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.6 8.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.486 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 2.4 mtt180 70.9 120.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 32' ' ' ARG . 1.3 tptm 175.28 72.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' LYS . 1.1 mttm -38.21 114.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -166.25 163.94 37.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.591 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 49.9 t -73.41 108.38 6.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.51 18.38 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 107.944 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -110.72 -34.01 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 29.4 p -115.82 -41.24 3.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 108.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.89 -40.38 1.75 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 118.93 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.487 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.1 pm0 -82.69 175.15 10.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.38 -14.2 55.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.036 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 8.9 p-80 -138.59 -179.71 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.545 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.428 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.9 pt20 -132.79 166.43 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.464 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 28.4 ttp -53.44 -49.55 67.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -55.68 -18.14 7.33 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 0.0 109.212 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.36 35.11 4.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.505 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 14.9 t -73.39 147.49 44.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 t -128.18 22.53 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -40.49 83.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.81 -25.29 58.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.612 1.195 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.87 -35.35 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 0.717 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 24' ' ' ILE . 11.7 t80 -60.04 -13.84 13.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -59.42 -14.94 14.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.431 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.1 p-10 -61.24 -14.07 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.538 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 2.3 tt0 -56.21 -29.35 60.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -20.66 20.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 12' ' ' THR . 14.9 mttt -128.19 41.53 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.1 m 83.55 150.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.439 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.475 HG22 ' CG2' ' A' ' 24' ' ' ILE . 2.8 p -125.77 -175.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -130.34 122.12 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 t -89.44 112.97 24.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 1.1 p90 -82.72 7.05 16.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -102.9 -58.17 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -91.45 -32.7 15.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 108.267 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.25 -36.63 4.27 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.69 175.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 0.727 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.3 159.84 30.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.35 -32.31 5.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 12.2 p-80 -140.05 170.41 15.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 0.786 . . . . 0.0 109.641 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 20.7 pt -113.12 162.22 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.372 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.6 -36.1 64.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HG2' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -41.96 -28.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.492 ' CG ' ' HG2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -150.11 56.8 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.62 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 47.4 t -73.13 147.72 44.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 108.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -125.16 36.49 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.29 133.78 94.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.22 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 50.42 2.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.35 146.42 47.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 0.0 110.31 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -93.06 -74.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -151.13 115.78 5.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -159.05 152.89 24.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' HIS . 42.1 t -71.75 104.84 3.53 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.36 15.74 8.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 107.989 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -104.17 -33.44 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 30.4 p -110.45 -44.4 3.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.93 29.86 2.48 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.8 117.25 25.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.469 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 13.9 pt-20 -74.57 164.88 26.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.64 -24.34 31.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.568 1.168 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.514 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.2 p-80 -137.51 -174.31 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.448 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.8 pt20 -132.94 168.82 17.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -53.73 -43.02 68.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.62 -24.86 23.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -126.02 32.81 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.391 1.057 . . . . 0.0 109.337 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.514 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 18.1 t -56.28 151.39 12.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.247 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 p -127.18 24.65 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.456 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 4.0 ptmm? -59.82 -43.32 94.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.54 -20.05 44.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -62.73 -37.53 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 3.9 t80 -60.23 -14.3 17.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 7.7 mmt85 -59.35 -15.22 15.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -59.55 -16.17 23.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 1.8 tt0 -56.68 -29.49 62.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -25.11 47.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -128.09 39.89 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 3.9 m 77.63 123.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.501 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -93.75 -175.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -136.74 120.39 17.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.352 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 t -78.07 111.81 14.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 108.322 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -83.58 8.16 15.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 6.6 t30 -102.74 -56.45 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -92.3 -32.47 15.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.338 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 109.75 -37.2 3.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -46.58 171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -122.61 160.62 25.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.74 -31.23 6.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 15.3 p-80 -140.72 174.34 10.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.62 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.57 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 36.6 pt -117.59 162.61 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.515 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.02 -37.78 64.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.61 -28.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -150.77 57.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.62 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.9 t -72.54 131.82 43.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.328 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' PRO . 1.9 ttt180 -65.66 -34.29 77.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -39.07 99.7 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.5 Cg_endo -74.91 49.02 2.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -75.04 117.94 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 5.2 ptpt -66.49 -53.87 30.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 4.2 mttt -173.21 115.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -160.62 151.32 21.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.504 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 43.8 t -77.2 107.27 9.46 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.32 14.31 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.014 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -102.07 -36.88 8.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.4 1.062 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 27.3 p -109.08 -42.25 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 108.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.4 28.47 3.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 116.68 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.7 155.88 38.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.0 -30.0 8.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 27.4 p-80 -131.17 -176.33 3.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 109.567 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.434 ' NE2' ' CB ' ' A' ' 47' ' ' LYS . 1.3 pt20 -132.47 169.13 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ttt -53.35 -51.11 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' CB ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -55.53 -18.1 6.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -125.61 37.38 4.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.9 t -80.51 148.8 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -139.75 29.56 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -58.08 -27.5 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.46 -16.98 38.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -57.75 -35.32 70.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 109.371 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.701 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -59.16 -14.25 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -17.64 9.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.83 -14.79 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.42 ' NE2' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -55.89 -31.79 63.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -58.31 -24.97 61.28 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 12' ' ' THR . 2.1 mmtp -119.72 26.02 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.7 m 83.66 126.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.524 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 1.1 p -89.27 -172.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -129.79 110.41 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 35.3 t -74.99 113.17 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 61.3 t80 -80.99 16.5 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.474 ' CB ' ' HB3' ' A' ' 25' ' ' ALA . 3.9 t30 -115.8 -66.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -82.99 -16.99 45.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 108.328 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 76.84 20.0 76.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -171.7 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' HG3' ' CG2' ' A' ' 12' ' ' THR . 11.3 pt-20 -133.59 150.25 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' N ' HG23 ' A' ' 12' ' ' THR . . . 111.02 -31.46 7.23 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.617 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.1 p-80 -140.38 167.32 22.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 0.714 . . . . 0.0 109.556 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.701 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 7.0 pt -115.88 156.46 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.513 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.29 -37.0 61.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.48 ' HD2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.43 -28.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.603 1.189 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -149.83 56.56 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.617 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.6 t -69.8 154.63 41.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 108.286 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.54 21.39 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.1 116.53 55.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 50.84 2.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.428 1.752 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -106.84 135.55 48.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.16 -72.66 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -150.78 114.68 5.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.13 154.0 24.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' HIS . 42.3 t -73.19 105.34 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.98 15.92 7.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 108.032 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -34.53 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 29.6 p -110.16 -44.38 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.86 29.57 2.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.155 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.88 115.0 22.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -73.15 159.98 32.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.19 -27.33 17.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.6 p-80 -134.31 -174.65 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.75 . . . . 0.0 109.569 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.7 pt20 -132.71 168.26 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.42 1.075 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 ttp -53.35 -43.36 67.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.449 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.73 -25.38 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.22 34.61 4.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 19.0 t -58.25 151.31 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 108.287 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.6 p -88.2 -26.09 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.454 ' H1 ' ' ND2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.474 0.178 . . . . 0.0 111.008 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.74 153.07 29.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.73 -36.48 81.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.84 -19.63 44.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.454 ' ND2' ' H1 ' ' A' ' 1' ' ' MET . 5.9 m120 -57.82 -36.6 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 7.7 t80 -60.44 -13.41 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.078 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.15 -13.07 15.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -59.26 -15.61 16.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.478 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 1.3 tm0? -55.86 -27.45 51.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -23.04 26.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 12' ' ' THR . 4.8 mmtt -131.67 41.32 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.4 m 82.59 123.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.498 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 2.8 p -97.35 -175.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -125.78 108.57 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 31.3 t -70.4 115.34 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.36 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -82.72 14.86 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 111.072 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 5.5 t30 -114.5 -58.29 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -92.51 -29.02 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 100.8 -33.33 6.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.412 1.07 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -46.48 171.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HG3' ' CG2' ' A' ' 12' ' ' THR . 12.2 pt-20 -120.34 159.43 25.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.423 ' N ' HG21 ' A' ' 12' ' ' THR . . . 111.02 -30.78 7.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.566 1.167 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.652 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 15.9 p-80 -141.87 174.74 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.583 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.598 ' HB ' ' C5 ' ' B' ' 211' ' ' ' G' . 31.8 pt -122.12 159.18 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -52.43 -39.57 61.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.502 ' CE ' " O2'" ' B' ' 213' ' ' ' G' . 0.5 OUTLIER -40.33 -28.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.584 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.2 OUTLIER -151.41 57.77 0.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.652 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.8 t -72.27 146.09 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -91.97 18.22 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.26 113.16 13.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 51.03 2.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 ptt-85 -108.07 152.33 24.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -96.14 -58.66 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -167.49 117.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -158.99 155.79 26.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' HIS . 47.0 t -74.06 107.72 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.38 11.99 15.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.017 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -39.04 8.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 p -108.4 -43.3 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 108.257 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.28 27.34 3.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.576 1.173 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.49 114.07 25.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -71.27 155.89 40.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.48 -30.09 8.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.478 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 26.2 p-80 -132.16 -176.15 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 0.698 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.7 pt20 -129.83 170.2 14.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.408 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 12.0 tmm? -54.65 -48.1 72.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 0.0 111.037 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -59.23 -15.85 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -123.67 29.04 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 19.4 t -72.87 150.38 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.307 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.0 p -88.34 -26.19 22.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.403 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.84 56.56 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HE ' ' NE2' ' A' ' 53' ' ' GLN . 6.3 ttp180 -96.94 79.4 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' NE2' ' HE ' ' A' ' 52' ' ' ARG . 13.9 pm0 38.33 49.13 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.05 119.4 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -94.41 -156.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.62 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.62 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.24 -17.776 3 C1'-O4'-C4' 116.24 7.378 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.343 -9.192 1 O4'-C4'-C3' 95.087 -7.438 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.551 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.321 -11.032 3 C5'-C4'-O4' 125.344 11.531 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.551 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.152 2 C5'-C4'-O4' 134.726 18.233 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.566 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.24 -17.721 2 C5'-C4'-O4' 125.875 11.911 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.566 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.408 3 C5'-C4'-O4' 128.74 13.957 . 0.404 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.656 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.094 -29.915 2 C1'-O4'-C4' 123.193 15.103 . 0.017 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.486 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.403 -4.179 3 C5'-C4'-O4' 149.245 28.604 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.433 ' OP1' " C4'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.293 -13.31 2 C5'-C4'-O4' 127.932 13.38 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.598 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.073 -31.665 1 C1'-O4'-C4' 123.241 15.156 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.656 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.934 3 C5'-C4'-O4' 139.63 21.736 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.566 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.164 -24.053 2 C5'-C4'-O4' 128.387 13.705 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.566 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.129 -27.04 2 C5'-C4'-O4' 135.136 18.526 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.671 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.402 -4.237 1 C1'-O4'-C4' 114.354 5.283 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.671 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.096 -29.753 2 C5'-C4'-O4' 136.275 19.34 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.575 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.145 -25.687 2 C5'-C4'-O4' 130.973 15.552 . 0.346 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.583 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.281 -14.315 3 C1'-O4'-C4' 119.326 10.806 . 0.347 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.583 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.385 -5.642 2 C1'-O4'-C4' 117.038 8.265 . 0.528 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.434 0.159 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -80.07 171.43 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.251 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.67 93.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.94 -20.99 51.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.11 -36.42 72.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 0.741 . . . . 0.0 109.271 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.592 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 1.9 t80 -59.85 -13.88 12.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 62.3 mtt180 -58.43 -15.65 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -56.8 -18.15 11.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.592 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 1.2 tt0 -55.47 -26.7 43.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -56.18 -27.59 55.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -127.64 36.78 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 3.4 m 79.4 123.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 0.0 110.468 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p -92.22 -176.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -135.46 130.19 34.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -85.33 111.35 19.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -87.45 14.73 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.492 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 6.8 t30 -110.63 -48.59 3.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.02 -26.41 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.244 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 107.9 -47.46 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -38.29 141.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -103.12 158.13 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.59 -31.58 6.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.642 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 21.7 p-80 -135.04 179.28 6.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.568 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.623 ' HB ' ' C5 ' ' B' ' 211' ' ' ' G' . 26.5 pt -117.04 155.41 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.506 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -51.67 -37.43 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' NZ ' ' OD1' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -39.45 -30.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.471 ' OD1' ' NZ ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -148.8 57.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.642 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.4 t -70.25 149.44 47.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.189 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -57.43 -16.83 10.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -39.67 100.34 0.21 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.94 49.7 2.31 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.555 1.819 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' NH2' H5'' ' B' ' 206' ' ' ' C' . 0.0 OUTLIER 73.37 122.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 170.6 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.505 ' CG ' ' O4 ' ' B' ' 210' ' ' ' U' . 0.2 OUTLIER 62.36 126.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.347 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.35 113.09 1.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HA ' ' O6 ' ' B' ' 209' ' ' ' G' . 43.7 t -67.6 108.03 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.803 ' CZ2' ' C5 ' ' B' ' 209' ' ' ' G' . 0.5 OUTLIER -91.78 20.82 5.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' CB ' ' HB2' ' A' ' 46' ' ' MET . 3.2 tptt -109.25 -34.65 6.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.0 p -109.61 -33.55 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 108.298 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.06 27.85 8.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.0 137.94 53.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 0.756 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -91.93 164.67 13.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.95 13.06 67.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 5.8 p-80 -173.52 175.02 3.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 0.808 . . . . 0.0 109.627 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.556 ' HB2' ' C5 ' ' B' ' 209' ' ' ' G' . 1.6 pt20 -131.08 167.24 19.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.457 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 14.4 tmm? -53.38 -49.88 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' CB ' ' OE1' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -53.71 -21.9 8.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -125.01 37.91 4.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.521 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.0 t -70.91 163.83 26.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.8 p -117.0 -6.81 11.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -59.18 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.18 161.02 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.16 148.61 28.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.14 149.44 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -171.38 148.42 2.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.521 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.571 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.365 -7.305 2 O4'-C4'-C3' 93.886 -8.296 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.399 -4.512 1 O4'-C4'-C3' 92.975 -8.946 . 0.205 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.646 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.087 -30.519 2 C1'-O4'-C4' 123.335 15.261 . 0.09 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.646 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.358 -7.877 2 O4'-C4'-C3' 94.037 -8.188 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.576 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.391 -5.185 2 C1'-O4'-C4' 117.448 8.72 . 0.12 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.576 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.376 2 O4'-C4'-C3' 93.326 -8.696 . 0.328 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.653 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.079 -31.178 2 C1'-O4'-C4' 123.097 14.997 . 0.113 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.803 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.418 -2.918 3 C5'-C4'-O4' 151.185 29.989 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.618 ' C6 ' " O2'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.288 -13.74 3 C5'-C4'-O4' 146.016 26.297 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.623 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.09 -30.225 2 C5'-C4'-O4' 130.818 15.441 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.653 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.872 2 C5'-C4'-O4' 140.303 22.217 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.586 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.245 -17.321 3 C5'-C4'-O4' 126.298 12.213 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.586 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.073 -31.707 2 C1'-O4'-C4' 123.472 15.413 . 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.48 " H1'" ' CB ' ' A' ' 23' ' ' HIS . . . . . . . . 1 O4'--C4' 1.404 -4.088 1 C5'-C4'-O4' 125.055 11.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.567 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.154 -24.952 2 C5'-C4'-O4' 140.847 22.605 . 0.287 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.579 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.164 -24.085 2 C5'-C4'-O4' 128.499 13.785 . 0.072 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.579 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.392 -5.083 3 C1'-O4'-C4' 117.477 8.752 . 0.326 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.574 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.388 -5.409 3 C1'-O4'-C4' 117.958 9.287 . 0.016 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.476 0.179 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER 67.71 59.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -61.37 -43.66 98.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.36 -13.13 35.27 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 14.4 t-20 -57.58 -24.62 57.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.58 ' CZ ' HD11 ' A' ' 24' ' ' ILE . 10.5 t80 -58.8 -14.3 8.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -55.91 -17.34 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 0.9 OUTLIER -60.38 -12.97 10.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -55.02 -31.36 61.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -55.53 -18.02 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -130.28 43.76 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 11' ' ' LYS . 24.7 m 74.55 149.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 3.5 p -133.95 -176.55 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -120.76 122.17 39.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.526 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 35.3 t -70.97 109.62 5.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.391 1.057 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 2.5 t80 -69.61 6.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.465 ' CB ' ' HB1' ' A' ' 25' ' ' ALA . 5.1 t30 -116.41 -82.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 17.5 p -63.46 -27.36 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 96.86 -36.21 4.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.58 148.3 3.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 2.1 pm0 -93.93 165.04 12.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.26 -33.27 5.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 25.2 p-80 -147.64 -177.32 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 109.6 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.599 ' HB ' ' C5 ' ' B' ' 211' ' ' ' G' . 22.9 pt -120.47 158.67 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.578 ' HB3' ' C4 ' ' B' ' 210' ' ' ' U' . . . -54.41 -37.09 64.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.21 -28.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.579 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.2 OUTLIER -150.31 56.85 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.364 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.9 t -71.94 149.68 44.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.1 34.82 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.4 143.45 0.83 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 49.22 2.2 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.92 144.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -72.25 -59.94 2.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -129.8 116.94 19.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.14 148.18 19.31 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.587 1.179 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 42.8 t -75.71 105.94 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.564 ' CE3' ' C5 ' ' B' ' 209' ' ' ' G' . 0.0 OUTLIER -88.13 13.0 12.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -100.63 -36.01 9.3 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.4 p -110.83 -44.89 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.75 29.8 2.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.27 122.05 41.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -76.4 158.74 31.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.247 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.96 -27.45 16.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 25.7 p-80 -135.07 -177.23 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 0.78 . . . . 0.0 109.654 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 2.0 pt20 -128.6 173.08 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.462 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 9.3 tmm? -54.37 -51.16 65.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.067 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 2.1 mtpp -62.24 -11.77 16.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.11 23.14 11.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.2 t -71.94 156.68 38.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 108.285 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 t -145.28 21.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.87 -35.61 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 103.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.79 59.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -101.49 -61.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 55.89 -139.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.37 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.438 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.572 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.353 -8.303 3 C5'-C4'-O4' 128.275 13.625 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.572 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.263 -15.812 2 C1'-O4'-C4' 114.588 5.542 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.667 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.081 -31.029 2 C1'-O4'-C4' 123.39 15.322 . 0.579 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.667 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.21 -20.243 2 C5'-C4'-O4' 126.637 12.455 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.551 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.206 -20.57 2 C5'-C4'-O4' 137.517 20.226 . 0.01 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.551 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.071 3 C5'-C4'-O4' 142.917 24.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.65 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.159 -24.48 2 C5'-C4'-O4' 138.199 20.714 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.564 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.414 -3.209 3 C5'-C4'-O4' 146.79 26.85 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.578 ' C4 ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.212 2 C5'-C4'-O4' 97.382 -8.441 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.599 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.111 -28.461 1 C1'-O4'-C4' 122.021 13.801 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.65 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.671 3 C5'-C4'-O4' 137.461 20.186 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.578 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.179 -22.822 2 C5'-C4'-O4' 127.788 13.277 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.578 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.104 -29.12 2 C5'-C4'-O4' 131.534 15.953 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.797 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.122 1 C5'-C4'-O4' 118.507 6.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.797 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.134 -26.585 2 C5'-C4'-O4' 135.909 19.078 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.768 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.165 -24.001 2 C1'-O4'-C4' 121.888 13.653 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.768 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.389 -5.369 3 C1'-O4'-C4' 117.77 9.078 . 0.066 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.392 -5.057 2 C1'-O4'-C4' 117.502 8.78 . 0.041 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tpp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.487 0.184 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 4.9 mt-30 -60.77 142.08 56.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 53.5 pttt -60.79 -45.32 94.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 3' ' ' LYS . . . -60.4 -13.53 30.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 19.4 t-20 -56.61 -19.29 15.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.628 ' CE1' ' CD1' ' A' ' 24' ' ' ILE . 5.6 t80 -60.22 -14.84 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -11.77 16.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -60.84 -14.32 21.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' OE1' ' CE1' ' A' ' 6' ' ' PHE . 7.3 tt0 -55.22 -26.18 37.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -54.34 -24.59 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -131.96 42.84 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.3 m 83.82 123.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.457 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 24' ' ' ILE . 1.3 p -98.77 -174.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -135.17 127.9 31.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 39.0 t -90.25 116.09 27.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 1.138 . . . . 0.0 108.253 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.8 p90 -85.59 18.71 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 7.1 t30 -116.02 -54.07 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.6 p -94.3 -26.72 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.26 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.0 34.34 18.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -122.61 145.63 48.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.384 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -88.63 157.79 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.196 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.95 -32.64 5.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.641 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 17.0 p-80 -147.47 173.95 12.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.764 . . . . 0.0 109.572 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.628 ' CD1' ' CE1' ' A' ' 6' ' ' PHE . 13.3 pt -119.35 159.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB2' ' C5 ' ' B' ' 210' ' ' ' U' . . . -53.22 -38.39 62.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HD2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.73 -28.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.593 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -151.03 57.58 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.641 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.9 t -72.31 143.57 48.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.296 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 28.75 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.83 112.83 10.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 50.83 2.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.481 1.78 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.42 -179.77 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.15 48.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.8 mttp 70.04 113.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.64 152.26 21.83 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 43.5 t -71.0 105.99 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.77 14.72 9.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -102.83 -34.19 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 29.0 p -110.74 -44.85 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 108.298 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.0 29.72 2.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HG2' ' CB ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -120.08 116.1 25.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 8.7 pm0 -73.21 157.57 36.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.02 -30.25 8.52 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.433 1.083 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 25.8 p-80 -131.96 -174.28 3.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 0.781 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.9 pt20 -131.44 168.95 16.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.413 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 12.2 tmm? -53.53 -41.25 66.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 2.7 tppt? -53.99 -28.48 38.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.28 30.23 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.522 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 22.7 t -48.44 141.86 6.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' GLU . 15.1 t -128.23 2.9 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.41 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.6 OUTLIER 37.79 69.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' CB ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -81.24 99.9 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 61.76 141.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.77 167.5 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.961 ' OD1' ' N ' ' A' ' 56' ' ' NH2 . 8.9 p30 -137.72 -110.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . 0.961 ' N ' ' OD1' ' A' ' 55' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.649 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.649 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.396 -4.762 3 C5'-C4'-O4' 127.831 13.308 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.563 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.174 -23.291 1 C1'-O4'-C4' 120.541 12.157 . 0.049 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.558 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.169 -23.654 1 C1'-O4'-C4' 121.848 13.608 . 0.191 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.558 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.265 -15.691 3 C1'-O4'-C4' 116.519 7.688 . 0.317 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.57 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.217 -19.702 1 C1'-O4'-C4' 119.655 11.172 . 0.026 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.57 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.167 -23.798 2 C1'-O4'-C4' 120.473 12.081 . 0.251 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.632 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.079 -31.144 1 C1'-O4'-C4' 123.176 15.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.507 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.403 -4.165 3 C5'-C4'-O4' 151.456 30.183 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.571 ' C5 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.221 2 C5'-C4'-O4' 100.125 -6.482 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.602 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.076 -31.396 1 C1'-O4'-C4' 123.291 15.212 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.632 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.877 2 C5'-C4'-O4' 129.194 14.281 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.572 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.105 -28.977 2 C1'-O4'-C4' 122.475 14.306 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.572 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.099 -29.541 2 C1'-O4'-C4' 123.016 14.907 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.789 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.187 2 C1'-O4'-C4' 114.84 5.822 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5n wannabe' 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.789 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.083 -30.839 2 C5'-C4'-O4' 129.793 14.709 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.573 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.155 -24.856 2 C5'-C4'-O4' 131.008 15.577 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.6 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.228 -18.746 2 C5'-C4'-O4' 131.557 15.969 . 0.082 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.6 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.387 -5.511 2 C1'-O4'-C4' 117.076 8.307 . 0.334 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.489 0.185 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -129.79 109.08 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -58.65 -40.51 83.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.57 -25.38 58.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -57.3 -35.77 70.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 0.719 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 5.0 t80 -58.22 -24.5 59.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -12.55 16.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -58.76 -16.44 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.68 -33.24 66.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -19.12 14.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -130.09 41.97 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.0 m 84.59 141.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.379 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 24' ' ' ILE . 7.3 p -124.08 169.29 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 5.6 tttt -116.3 125.01 51.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 29.6 t -87.67 115.08 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.247 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.7 p90 -82.75 14.26 3.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' OD1' ' O4 ' ' B' ' 210' ' ' ' U' . 4.6 t30 -113.69 -57.15 2.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -93.65 -30.86 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 108.327 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 103.76 -36.73 4.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -48.35 175.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 109.303 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -124.98 162.07 25.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.96 -32.73 5.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.603 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 21.9 p-80 -139.64 -177.52 4.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.605 ' HB ' ' C5 ' ' B' ' 211' ' ' ' G' . 22.6 pt -122.87 158.23 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.556 ' HB2' ' C6 ' ' B' ' 210' ' ' ' U' . . . -52.46 -35.99 53.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HG2' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -41.14 -31.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.598 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -148.31 56.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.603 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 41.8 t -71.2 147.45 48.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.323 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 ptt85 -111.72 30.55 6.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.9 140.95 1.38 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 49.48 2.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -164.21 153.72 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -87.01 -70.46 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -133.79 116.8 16.14 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.451 1.095 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -156.59 159.17 29.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.465 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 47.7 t -76.44 106.72 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.36 14.04 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 107.97 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.15 -36.19 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -110.36 -43.38 3.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.588 1.18 . . . . 0.0 108.294 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.56 28.72 3.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 112.79 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 7.2 pt-20 -70.41 155.93 40.03 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.614 1.196 . . . . 0.0 110.227 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.94 -29.66 9.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 26.8 p-80 -131.82 -176.57 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.75 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.7 pt20 -131.45 167.66 18.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.8 ttp -53.34 -51.42 62.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -55.13 -18.37 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -125.31 38.58 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 36.2 t -82.64 149.21 27.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.1 p -81.09 -31.1 34.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.374 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -72.09 -59.33 2.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 106.15 5.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.08 162.07 13.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.37 163.08 30.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.229 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 53.87 -170.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.635 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.635 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.108 -28.715 2 C1'-O4'-C4' 122.379 14.199 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.568 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.33 -10.246 1 O4'-C4'-C3' 95.585 -7.082 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.563 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.173 -23.371 2 C5'-C4'-O4' 133.089 17.063 . 0.071 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.563 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.223 -19.165 2 C5'-C4'-O4' 124.749 11.107 . 0.166 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.57 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.271 -15.173 2 C1'-O4'-C4' 119.363 10.848 . 0.107 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.57 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.226 -18.952 2 C1'-O4'-C4' 117.847 9.163 . 0.389 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.474 ' N2 ' ' N6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.079 -31.126 1 C1'-O4'-C4' 123.059 14.954 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.452 ' N3 ' ' O4 ' ' B' ' 210' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.331 -10.177 2 C5'-C4'-O4' 133.442 17.316 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.556 ' C6 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.282 1 C1'-O4'-C4' 116.898 8.109 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.605 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.119 -27.825 2 C1'-O4'-C4' 121.757 13.508 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.576 ' P ' " O2'" ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.38 2 C5'-C4'-O4' 135.584 18.846 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.587 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.097 -29.682 2 C5'-C4'-O4' 131.447 15.89 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.587 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.305 -12.322 3 C5'-C4'-O4' 148.374 27.981 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.783 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.098 1 C5'-C4'-O4' 129.242 14.316 . 0.0 OUTLIER '7D dist 5n wannabe' 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.783 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.153 -25.006 2 C5'-C4'-O4' 140.071 22.05 . 0.326 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.577 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.161 -24.364 2 C5'-C4'-O4' 132.044 16.317 . 0.185 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.588 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.292 -13.453 3 C5'-C4'-O4' 128.853 14.038 . 0.127 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.588 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.384 -5.79 2 C1'-O4'-C4' 117.243 8.492 . 0.225 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mtp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.466 0.174 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 72.83 161.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -59.21 -30.64 68.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.9 -27.33 61.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.18 -24.87 60.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 24' ' ' ILE . 66.1 t80 -60.42 -15.69 28.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -58.93 -15.9 15.14 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -58.19 -17.83 21.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.491 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 20.3 tt0 -57.67 -31.66 66.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.577 1.173 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.65 -25.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.417 1.073 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -111.54 -22.77 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.382 1.051 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.57 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 161.6 140.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.431 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.51 HG21 ' CE1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -121.48 172.85 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.083 . . . . 0.0 109.237 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.84 123.67 45.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 37.5 t -82.21 111.17 18.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' HB2' ' C6 ' ' B' ' 211' ' ' ' G' . 0.7 OUTLIER -71.47 9.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.477 ' HB2' ' C5 ' ' B' ' 210' ' ' ' U' . 7.5 t30 -118.87 -81.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 21.0 p -63.37 -24.29 67.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 89.23 -30.01 5.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -49.16 177.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -122.28 161.18 23.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.244 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.07 -32.64 6.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 18.0 p-80 -145.07 174.6 10.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.604 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.575 ' HB ' ' C5 ' ' B' ' 211' ' ' ' G' . 8.0 pt -117.03 154.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -52.36 -36.42 53.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.473 ' HD2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.85 -27.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.582 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.2 OUTLIER -150.52 56.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.272 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 44.1 t -71.93 146.06 48.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -93.28 19.05 8.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.364 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.16 114.31 36.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 50.72 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -83.24 176.31 9.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -140.48 48.93 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' CE ' ' OP1' ' B' ' 207' ' ' ' U' . 2.8 mtmt 70.46 115.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.93 149.72 16.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HA ' ' O6 ' ' B' ' 209' ' ' ' G' . 42.4 t -70.3 104.29 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.09 16.69 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -105.52 -32.56 8.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.9 p -110.41 -44.47 3.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 108.241 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.07 30.12 2.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 111.062 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.46 117.97 26.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 12.3 pt-20 -75.87 166.56 23.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.48 -22.93 38.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.137 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 36' ' ' CYS . 20.6 p-80 -138.84 -173.38 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 0.813 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.5 pt20 -133.94 167.07 21.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.418 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 7.6 tmm? -53.16 -42.81 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.86 -24.99 17.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -126.37 34.16 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.475 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 15.0 t -58.04 153.13 15.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.291 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.9 p -125.57 22.11 7.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.08 61.33 1.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -116.49 -56.49 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -90.07 126.16 35.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.7 92.01 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -163.19 -115.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.526 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.578 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.389 -5.32 3 C5'-C4'-O4' 125.779 11.842 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.578 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.322 -10.928 2 O4'-C4'-C3' 95.905 -6.854 . 0.026 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.479 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.139 -26.162 2 C5'-C4'-O4' 130.784 15.417 . 0.128 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.479 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.213 -20.029 2 C5'-C4'-O4' 129.059 14.185 . 0.141 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.559 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.311 -11.864 2 C1'-O4'-C4' 118.676 10.085 . 0.018 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.559 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.103 -29.188 2 C5'-C4'-O4' 130.866 15.476 . 0.266 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.653 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.096 -29.721 2 C1'-O4'-C4' 121.897 13.663 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.607 " O2'" ' C6 ' ' B' ' 210' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.625 2 C5'-C4'-O4' 153.587 31.705 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.607 ' C6 ' " O2'" ' B' ' 209' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.96 3 C5'-C4'-O4' 147.382 27.273 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.596 " O2'" ' P ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.108 -28.722 1 C1'-O4'-C4' 122.445 14.272 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.653 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.716 2 C5'-C4'-O4' 128.528 13.806 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.59 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.09 -30.236 2 C1'-O4'-C4' 123.248 15.165 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.59 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.315 -11.465 3 C5'-C4'-O4' 148.698 28.213 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.799 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.164 1 C5'-C4'-O4' 119.196 7.14 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.799 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.153 -25.035 2 C5'-C4'-O4' 140.677 22.484 . 0.235 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.574 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.15 -25.242 2 C1'-O4'-C4' 122.149 13.943 . 0.361 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.574 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.361 -7.636 3 C5'-C4'-O4' 123.508 10.22 . 0.327 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.573 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.391 -5.138 2 C1'-O4'-C4' 117.65 8.945 . 0.086 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.2 mtt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.51 0.195 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -52.49 -43.1 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.467 ' CG ' ' OP2' ' B' ' 212' ' ' ' A' . 4.2 mptt -60.79 -41.66 96.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.098 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.37 -18.45 43.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -57.9 -35.48 71.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.628 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 3.1 t80 -59.77 -13.92 12.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -58.8 -15.29 11.64 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -60.81 -13.96 18.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 4.1 tt0 -55.69 -30.78 61.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -55.45 -20.13 11.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -130.11 43.01 3.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.9 m 84.81 145.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.472 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -122.91 -175.22 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -134.27 109.54 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 25.3 t -72.21 114.95 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 108.259 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.437 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.1 p90 -80.67 8.77 7.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.558 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 2.3 t30 -107.64 -64.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.1 p -83.23 -26.95 30.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 99.69 -36.43 4.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' GLY . 24.3 mttp -47.0 173.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -121.9 159.1 27.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.337 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.85 -32.55 5.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 14.2 p-80 -141.87 173.01 11.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.58 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.628 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 28.4 pt -116.18 163.2 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.92 -37.32 63.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.444 ' HG2' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -40.44 -29.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.185 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.594 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.38 57.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 41.8 t -73.12 113.75 10.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -89.99 18.91 5.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.6 151.91 1.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 48.13 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 165.44 -179.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 18.34 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.35 -173.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -153.08 -176.59 25.76 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.539 1.15 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 52.9 t -60.95 123.51 17.8 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.741 ' CZ2' ' C2 ' ' B' ' 209' ' ' ' G' . 14.7 m0 -70.7 -5.41 29.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -90.19 -76.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 18.2 p -67.85 -45.92 73.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 108.283 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.482 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . 97.43 43.56 2.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -117.67 126.33 52.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 0.747 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -73.37 147.31 44.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.86 -28.67 10.87 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 10.7 p-80 -132.22 160.61 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.75 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.564 ' HB2' ' C5 ' ' B' ' 209' ' ' ' G' . 2.0 pt20 -120.42 177.15 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.656 ' CE ' ' CE3' ' A' ' 37' ' ' TRP . 69.5 mtm -54.52 -49.58 69.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -15.99 13.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -131.66 42.38 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.537 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 48.8 t -93.09 114.7 27.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.21 2.46 55.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.85 62.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.83 91.63 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 67.91 116.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.69 174.82 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.4 123.14 18.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.538 ' C ' H5'A ' B' ' 201' ' ' CG1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.57 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.396 -4.709 3 C5'-C4'-O4' 128.051 13.465 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.57 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.303 -12.489 2 O4'-C4'-C3' 96.707 -6.281 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.534 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.324 -10.764 3 C5'-C4'-O4' 130.208 15.006 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.534 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.06 2 C5'-C4'-O4' 134.479 18.057 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.476 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.123 -27.464 2 C1'-O4'-C4' 122.419 14.243 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.675 ' C4 ' ' C6 ' ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.393 -4.967 2 O4'-C4'-C3' 92.692 -9.149 . 0.69 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.675 ' C6 ' ' C4 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.083 -30.84 2 C5'-C4'-O4' 134.668 18.191 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.741 ' C2 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 0 C3'--C2' 1.504 -1.917 3 C5'-C4'-O4' 146.169 26.406 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.509 " O2'" ' C2 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.251 -16.842 2 C1'-O4'-C4' 120.009 11.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.511 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.071 -31.839 1 C1'-O4'-C4' 123.436 15.373 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.509 ' C2 ' " O2'" ' B' ' 210' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.403 -4.127 3 C5'-C4'-O4' 139.069 21.335 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.578 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.194 -21.605 2 C5'-C4'-O4' 126.212 12.151 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.578 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.106 -28.953 2 C1'-O4'-C4' 122.968 14.853 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.665 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.11 2 C1'-O4'-C4' 113.58 4.422 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.665 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.116 -28.07 2 C5'-C4'-O4' 138.848 21.177 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.579 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.159 -24.461 2 C5'-C4'-O4' 133.061 17.044 . 0.277 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.579 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.339 -9.492 3 C1'-O4'-C4' 118.326 9.695 . 0.228 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.574 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.394 -4.902 3 C1'-O4'-C4' 117.437 8.708 . 0.243 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tpt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.511 0.196 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -143.41 -59.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -20.3 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.48 -17.94 42.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.79 -35.24 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 24' ' ' ILE . 3.7 t80 -59.14 -14.55 10.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -56.25 -17.5 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -60.48 -14.75 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.486 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 10.9 tm0? -55.96 -33.43 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -46.61 -23.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -110.52 -24.49 10.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 158.06 153.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.486 ' HB ' ' CG ' ' A' ' 9' ' ' GLN . 2.6 p -143.24 -175.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -131.1 129.33 41.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 34.6 t -94.18 111.48 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 108.321 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.29 10.08 9.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 5.4 t30 -103.68 -54.5 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -92.89 -35.88 13.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 108.352 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.15 35.12 5.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.52 148.22 50.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.184 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.17 160.03 16.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.48 -32.25 5.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.633 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 13.2 p-80 -148.88 174.71 11.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.65 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.606 ' HB ' ' C5 ' ' B' ' 211' ' ' ' G' . 23.9 pt -118.28 163.52 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.88 -38.54 64.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HG2' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -40.19 -29.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.581 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.17 57.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.633 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 49.5 t -73.93 146.22 44.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -33.29 69.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.209 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -39.55 103.02 0.27 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 49.9 2.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 68.64 146.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 173.83 72.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -40.17 113.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -173.64 146.04 8.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.416 1.072 . . . . 0.0 111.001 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 44' ' ' HIS . 51.0 t -69.3 104.7 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.75 18.64 4.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 107.974 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.83 -32.15 7.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.2 p -110.2 -44.68 3.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.09 29.85 2.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.21 118.57 28.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 0.72 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -77.1 161.39 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.17 -26.88 20.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 21.6 p-80 -134.41 -172.85 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.459 ' OE1' ' CG ' ' A' ' 47' ' ' LYS . 2.2 pt20 -134.23 172.25 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.2 ttp -54.83 -48.55 72.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.459 ' CG ' ' OE1' ' A' ' 45' ' ' GLN . 27.0 mttm -62.34 -11.88 17.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.54 22.23 9.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.0 t -71.32 155.08 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.329 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.6 p -93.2 -21.52 19.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -73.5 -58.68 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.245 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.95 127.7 54.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -175.71 -59.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 57.58 63.55 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -110.38 146.83 35.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.554 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.566 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.333 -10.031 3 C5'-C4'-O4' 127.676 13.197 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.566 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.287 -13.864 1 O4'-C4'-C3' 97.345 -5.825 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.539 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.335 -9.811 3 C5'-C4'-O4' 139.938 21.956 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.539 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.405 -4.002 2 C5'-C4'-O4' 135.466 18.761 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.525 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.3 -12.741 2 C1'-O4'-C4' 119.05 10.5 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.525 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.178 -22.938 1 C1'-O4'-C4' 119.708 11.231 . 0.135 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.501 ' N2 ' ' N6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.078 -31.283 1 C1'-O4'-C4' 123.355 15.284 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.534 ' C6 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.395 -4.803 3 C5'-C4'-O4' 139.538 21.67 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.406 ' OP1' " C4'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.39 -5.273 2 C5'-C4'-O4' 125.016 11.297 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.606 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.172 -23.452 2 C5'-C4'-O4' 90.069 -13.665 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.556 ' P ' " O2'" ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.347 2 C5'-C4'-O4' 137.506 20.219 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.588 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.092 -30.092 2 C5'-C4'-O4' 131.339 15.813 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.588 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.372 -6.739 2 C5'-C4'-O4' 150.13 29.236 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.581 ' C6 ' ' HB2' ' A' ' 27' ' ' ASN . . . . . . . . 0 O4'--C4' 1.408 -3.714 2 C1'-O4'-C4' 115.737 6.819 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.441 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.139 -26.17 2 C5'-C4'-O4' 140.611 22.437 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.588 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.212 -20.102 2 C5'-C4'-O4' 130.127 14.948 . 0.088 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.588 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.364 -7.456 2 O4'-C4'-C3' 94.258 -8.03 . 0.207 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.566 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.393 -5.011 3 O4'-C4'-C3' 94.096 -8.146 . 0.239 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mtt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.436 0.16 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 70.52 -63.11 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -58.76 -40.78 84.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.64 -24.95 57.8 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -58.45 -35.6 72.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.466 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 19.8 t80 -60.13 -13.25 11.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -60.77 -12.51 10.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -59.74 -13.62 10.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -55.2 -33.78 63.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.392 1.058 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -18.4 8.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' O ' ' HB ' ' A' ' 12' ' ' THR . 4.8 mttt -128.13 42.51 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 11' ' ' LYS . 25.0 m 74.65 149.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 23' ' ' HIS . 1.1 p -121.3 -174.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 13' ' ' VAL . 10.0 tttt -121.58 116.61 24.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 34.7 t -81.44 106.65 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.336 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.02 0.69 12.88 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 5.4 t30 -98.23 -76.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -70.66 -31.84 68.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 108.267 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 105.03 -31.46 8.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' GLY . 3.6 ttmt -51.71 -176.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -131.58 157.83 42.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 12' ' ' THR . . . 116.48 -33.89 4.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 25.3 p-80 -137.77 178.77 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 0.803 . . . . 0.0 109.562 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.595 ' HB ' ' C5 ' ' B' ' 211' ' ' ' G' . 25.9 pt -121.19 160.89 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.503 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.32 -37.73 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HG2' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -40.14 -29.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.579 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.73 57.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.64 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.2 t -69.85 151.0 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 108.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -109.2 30.24 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.53 151.93 0.24 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 48.29 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.431 1.753 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.468 ' HD3' ' CG ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER 171.22 167.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -67.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -124.55 130.58 52.72 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -160.82 147.35 13.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' HIS . 52.7 t -72.25 105.66 4.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.56 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.54 19.91 4.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -109.76 -30.81 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.7 p -110.9 -43.66 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.74 31.12 2.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -125.63 125.2 42.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 0.825 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' CG ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -82.16 167.55 18.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.6 9.06 65.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' CYS . 13.8 p-80 -171.0 -176.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.63 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.515 ' CD ' ' HB2' ' A' ' 47' ' ' LYS . 2.7 pt20 -135.04 170.52 15.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.477 ' HG2' ' N7 ' ' B' ' 209' ' ' ' G' . 0.1 OUTLIER -50.38 -37.47 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HB2' ' CD ' ' A' ' 45' ' ' GLN . 2.4 mttt -57.08 -39.97 76.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -109.28 31.88 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.6 t -58.73 159.36 6.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 108.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 t -140.17 14.1 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -38.92 -47.55 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.71 -56.56 13.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 140.91 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.49 63.2 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -146.11 176.11 9.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.102 -29.246 2 C1'-O4'-C4' 122.691 14.545 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.565 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.332 -10.103 1 O4'-C4'-C3' 95.495 -7.146 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.552 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.173 -23.3 2 C5'-C4'-O4' 133.04 17.028 . 0.08 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.552 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.236 -18.057 3 C1'-O4'-C4' 116.206 7.34 . 0.233 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.561 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.229 -18.67 2 C5'-C4'-O4' 130.503 15.216 . 0.011 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.561 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.423 3 C5'-C4'-O4' 136.857 19.755 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.504 ' N2 ' ' N6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.157 -24.668 2 C5'-C4'-O4' 141.058 22.756 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.606 " O2'" ' C6 ' ' B' ' 210' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.406 -3.946 2 C5'-C4'-O4' 153.019 31.299 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.606 ' C6 ' " O2'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.196 1 C5'-C4'-O4' 137.82 20.443 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.595 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.101 -29.363 1 C1'-O4'-C4' 122.29 14.099 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.543 ' P ' " O2'" ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.551 2 C5'-C4'-O4' 139.308 21.506 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.575 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.143 -25.81 2 C5'-C4'-O4' 128.93 14.093 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.575 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.12 -27.786 2 C5'-C4'-O4' 133.73 17.522 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.702 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.168 1 C1'-O4'-C4' 113.264 4.071 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.702 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.15 -25.23 2 C5'-C4'-O4' 141.105 22.79 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.575 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.134 -26.578 2 C5'-C4'-O4' 131.676 16.054 . 0.312 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.595 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.235 -18.157 2 C5'-C4'-O4' 130.913 15.509 . 0.113 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.595 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.388 -5.416 2 O4'-C4'-C3' 94.05 -8.178 . 0.259 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.431 0.157 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.86 113.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 15.0 pttt -58.74 -40.76 84.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' N ' ' HG3' ' A' ' 3' ' ' LYS . . . -58.78 -24.95 58.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -57.33 -35.4 69.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 24' ' ' ILE . 1.7 t80 -59.07 -23.34 61.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -60.69 -14.2 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.449 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -61.4 -14.26 26.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.414 ' NE2' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -55.52 -24.58 32.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.624 1.203 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -56.14 -24.97 44.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -124.42 34.08 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.1 m 83.21 156.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' CG1' ' NE2' ' A' ' 9' ' ' GLN . 3.6 p -129.2 -176.65 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -137.93 127.78 25.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 25' ' ' ALA . 33.3 t -80.22 117.43 21.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -83.6 14.34 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 5.5 t30 -114.8 -51.92 2.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -100.43 -34.42 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.277 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 109.48 -41.84 2.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.78 150.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -103.13 160.02 15.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.68 -31.22 7.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.689 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 4.4 p-80 -139.96 -176.72 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.564 HG21 ' CZ ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -128.76 165.02 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -55.21 -52.57 62.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.502 ' HD2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.98 -25.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.568 ' HB3' ' C6 ' ' B' ' 215' ' ' ' A' . 0.0 OUTLIER -145.87 58.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.689 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 42.2 t -80.64 136.27 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.248 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ALA . 35.6 mtp180 -56.81 -30.83 64.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -38.94 141.04 0.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 -32.61 5.1 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 6.1 tmm_? 72.15 132.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 7.4 tttm -169.93 46.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' LYS . 13.3 mttt 59.03 112.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 44' ' ' HIS . . . -168.29 128.68 1.75 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' HIS . 49.8 t -71.63 105.41 3.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.628 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.75 16.87 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -105.24 -33.37 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 28.7 p -109.01 -44.56 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 108.241 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.15 30.65 2.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -119.66 129.81 54.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 0.725 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.98 162.31 18.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.76 -24.52 31.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 17.2 p-80 -136.39 -174.74 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.644 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.444 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 1.4 pt20 -134.47 172.01 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttm -54.79 -47.0 74.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 1.7 mmpt? -61.24 -12.91 14.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.09 23.79 7.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.2 t -65.98 154.44 39.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 108.295 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 p -99.19 -21.97 15.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -58.85 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.87 124.08 9.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 63.28 97.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.56 167.64 9.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -49.18 158.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.58 ' O6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.58 ' C6 ' ' O6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.216 -19.774 1 C1'-O4'-C4' 117.394 8.66 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.569 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.397 -4.645 1 O4'-C4'-C3' 92.995 -8.932 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.57 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.105 -28.999 2 C1'-O4'-C4' 122.575 14.417 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.57 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.303 -12.509 3 C5'-C4'-O4' 118.716 6.797 . 0.428 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.458 " C1'" " H2'" ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.366 -7.284 3 O4'-C4'-C3' 94.416 -7.917 . 0.369 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.45 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.397 -4.653 2 O4'-C4'-C3' 93.544 -8.54 . 0.269 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.644 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.212 -20.088 2 C1'-O4'-C4' 117.899 9.221 . 0.232 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.299 3 C5'-C4'-O4' 149.315 28.654 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.217 2 C1'-O4'-C4' 117.564 8.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.574 " O2'" ' P ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.137 -26.316 2 C1'-O4'-C4' 121.283 12.981 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.644 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.945 2 C5'-C4'-O4' 133.979 17.699 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.57 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.096 -29.76 2 C5'-C4'-O4' 130.096 14.926 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.57 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.151 -25.184 2 C5'-C4'-O4' 141.673 23.195 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.692 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.402 -4.265 1 C5'-C4'-O4' 122.552 9.537 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.692 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.155 -24.866 2 C5'-C4'-O4' 140.198 22.141 . 0.236 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.596 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.172 -23.376 2 C5'-C4'-O4' 131.861 16.187 . 0.099 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.596 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.208 -20.42 2 C1'-O4'-C4' 118.88 10.311 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.592 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.377 -6.307 2 O4'-C4'-C3' 94.329 -7.979 . 0.532 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mtt . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.514 0.197 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 18.6 mt-30 -54.61 157.88 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -46.21 91.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.98 -12.0 34.21 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 4.9 t30 -60.96 -15.33 30.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.598 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 6.1 t80 -59.17 -14.28 10.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -58.2 -14.97 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -60.25 -13.33 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' HG2' ' CG1' ' A' ' 13' ' ' VAL . 4.9 tm0? -54.33 -28.7 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -54.54 -18.96 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 12' ' ' THR . 7.1 ttmt -136.18 44.27 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.552 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.0 m 85.68 142.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 HG22 ' CG2' ' A' ' 24' ' ' ILE . 7.7 p -127.53 169.3 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 16.0 tttt -113.24 110.46 20.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.461 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 34.3 t -63.49 107.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 108.336 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 3.4 t80 -71.12 3.63 3.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 4.0 t30 -107.3 -80.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -66.61 -31.91 72.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 105.13 -38.69 3.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.589 1.18 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -50.7 156.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -101.99 164.66 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.79 -33.31 5.27 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.7 p-80 -145.19 -178.39 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 0.821 . . . . 0.0 109.602 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.598 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 37.2 pt -121.77 162.76 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.06 -40.59 67.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' CE ' " H1'" ' B' ' 213' ' ' ' G' . 0.0 OUTLIER -39.69 -28.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.538 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.11 58.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.601 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.3 t -75.88 136.98 40.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -31.69 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.406 ' CB ' ' CD ' ' A' ' 32' ' ' ARG . . . -45.46 152.66 0.64 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 48.12 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.768 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -86.38 -177.68 6.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.371 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER 90.48 -17.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.6 31.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -154.07 142.94 9.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' HIS . 43.7 t -71.62 107.19 4.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.631 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.45 16.33 7.78 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 1.6 tttp -105.76 -33.23 8.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 41' ' ' LYS . 29.9 p -112.48 -44.76 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 108.279 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.21 31.93 2.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 14.4 mttt -120.16 120.69 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 161.21 28.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.84 -2.09 56.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.578 1.174 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' CYS . 16.2 p-80 -161.95 -177.6 5.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 0.768 . . . . 0.0 109.603 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.482 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 3.0 pt20 -129.56 171.76 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.49 ' CG ' ' N7 ' ' B' ' 209' ' ' ' G' . 1.9 ppp? -58.67 -32.5 69.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.482 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -64.03 -14.9 57.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -133.97 29.01 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.408 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 8.9 t -57.63 144.62 36.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t -118.98 13.45 13.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -59.27 4.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.49 168.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -40.51 111.05 0.18 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.13 147.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -150.03 -38.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.766 ' C ' H5'A ' B' ' 201' ' ' CG1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.57 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.489 3 C5'-C4'-O4' 131.233 15.738 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.57 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.253 -16.641 3 C1'-O4'-C4' 114.421 5.357 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.55 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.157 -24.691 2 C1'-O4'-C4' 122.084 13.871 . 0.427 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.55 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.23 -18.564 3 C5'-C4'-O4' 122.543 9.531 . 0.334 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.579 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.321 -10.981 2 C5'-C4'-O4' 132.798 16.855 . 0.012 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.579 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.356 -8.12 3 C1'-O4'-C4' 118.625 10.028 . 0.015 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.651 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.127 -27.185 2 C1'-O4'-C4' 122.588 14.431 . 0.245 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.49 ' N7 ' ' CG ' ' A' ' 46' ' ' MET . . . . . . . . 0 O4'--C4' 1.405 -3.997 3 C5'-C4'-O4' 147.168 27.12 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.518 ' C5 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.401 -4.302 2 C5'-C4'-O4' 95.201 -10.0 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.458 ' N7 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.082 -30.938 1 C1'-O4'-C4' 122.65 14.5 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.651 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.561 3 C5'-C4'-O4' 140.75 22.535 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.578 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.246 -17.275 3 C5'-C4'-O4' 127.803 13.288 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.578 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.17 -23.617 2 C5'-C4'-O4' 91.02 -12.986 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.589 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.406 -3.898 2 C5'-C4'-O4' 91.14 -12.9 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.589 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.121 -27.705 2 C5'-C4'-O4' 139.473 21.624 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.577 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.155 -24.872 2 C1'-O4'-C4' 122.122 13.914 . 0.227 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.577 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.332 -10.125 3 C5'-C4'-O4' 130.78 15.414 . 0.163 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.394 -4.883 3 C1'-O4'-C4' 117.915 9.239 . 0.087 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.515 0.198 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 74.59 -59.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' CD ' ' OP1' ' B' ' 212' ' ' ' A' . 32.3 ttpt -57.64 -35.81 71.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.72 -15.04 32.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -58.03 -34.77 70.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 24' ' ' ILE . 1.9 t80 -60.65 -13.72 16.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -61.75 -13.13 20.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -60.34 -15.23 23.67 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -56.26 -33.36 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -55.56 -23.05 24.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.94 42.51 3.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m 71.35 121.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.401 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 1.4 p -94.56 -175.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -135.27 117.47 15.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 30.5 t -74.76 112.17 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.81 3.36 33.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 2.5 t30 -96.23 -56.3 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -91.84 -35.0 14.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 113.39 -36.98 3.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -48.59 175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.97 162.88 24.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.55 -30.44 7.85 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.069 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.583 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 11.3 p-80 -142.0 174.42 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.615 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.571 ' HB ' ' C5 ' ' B' ' 211' ' ' ' G' . 43.7 pt -117.0 164.86 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.557 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.44 -38.17 65.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HE3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.9 -27.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.359 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.58 ' CB ' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.83 57.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.9 t -76.09 107.71 8.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 108.26 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -84.86 11.93 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 28' ' ' CYS . . . -39.34 99.79 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.07 -2.09 12.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 170.93 176.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 88.86 -14.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -49.61 117.36 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -148.16 163.71 28.92 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' HIS . 36.3 t -76.62 116.04 16.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.646 ' NE1' ' C6 ' ' B' ' 209' ' ' ' G' . 9.1 p-90 -87.85 35.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.125 . . . . 0.0 107.985 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.94 -43.35 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.3 p -101.82 -31.15 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.251 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.13 28.2 11.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.43 125.8 51.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.436 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -82.07 157.18 24.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.16 8.49 56.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.566 1.167 . . . . 0.0 111.027 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.54 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.9 p-80 -170.02 172.61 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.624 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.546 ' HB2' ' C6 ' ' B' ' 209' ' ' ' G' . 2.9 pt20 -128.59 169.18 14.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.423 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 44.0 ttp -53.64 -42.09 67.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.59 -24.51 14.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.377 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.91 44.03 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.54 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.1 t -69.69 158.29 35.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.344 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.8 p -115.61 -6.42 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.414 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -104.33 -60.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 61.57 82.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -78.36 123.48 27.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.18 -61.02 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -126.09 141.39 51.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.526 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.574 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.467 3 C5'-C4'-O4' 134.357 17.969 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.574 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.206 -20.582 1 C1'-O4'-C4' 118.508 9.897 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.729 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.136 -26.406 1 C1'-O4'-C4' 120.936 12.596 . 0.377 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.729 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.387 -5.522 2 O4'-C4'-C3' 93.047 -8.895 . 0.05 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.554 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.315 2 C1'-O4'-C4' 117.853 9.17 . 0.015 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.554 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.367 2 C1'-O4'-C4' 117.563 8.848 . 0.324 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.653 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.091 -30.159 2 C1'-O4'-C4' 123.093 14.993 . 0.066 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.646 ' C6 ' ' NE1' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.41 -3.608 3 C5'-C4'-O4' 148.011 27.722 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.55 ' C2 ' ' O ' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.328 -10.386 0 C3'-C2'-O2' 102.69 -3.659 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.571 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.17 -23.616 2 C5'-C4'-O4' 138.138 20.67 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.653 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.53 2 C5'-C4'-O4' 138.09 20.636 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.578 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.169 -23.684 2 C5'-C4'-O4' 127.078 12.77 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.578 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.084 -30.708 2 C1'-O4'-C4' 123.17 15.078 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.785 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.359 2 C5'-C4'-O4' 117.02 5.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.785 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.153 -25.024 2 C5'-C4'-O4' 140.068 22.048 . 0.253 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.578 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.161 -24.367 2 C5'-C4'-O4' 133.021 17.015 . 0.189 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.578 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.331 -10.165 3 C5'-C4'-O4' 124.308 10.792 . 0.234 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.568 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.395 -4.858 2 C1'-O4'-C4' 117.588 8.876 . 0.278 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.499 0.19 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.457 ' O ' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 41.13 -166.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -38.04 89.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 7' ' ' ARG . . . -55.69 -16.35 11.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -56.68 -40.56 75.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 3.5 t80 -59.82 -14.37 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 9.4 ttm180 -57.68 -16.98 12.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.435 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.1 p-10 -61.56 -14.02 26.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.567 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 6.6 tt0 -56.35 -28.63 59.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -20.04 18.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -128.73 41.59 3.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.508 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.2 m 83.05 151.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 110.359 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.506 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -133.92 -175.29 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -130.21 122.4 28.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 24.6 t -85.72 113.73 22.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 108.335 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.474 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -82.81 9.21 10.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.977 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 4.8 t30 -105.76 -57.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.1 p -91.86 -31.89 15.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 108.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 106.03 -36.14 4.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLY . 5.9 mptt -47.4 173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' OE1' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -121.88 161.48 22.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.52 -31.28 6.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.637 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.1 p-80 -142.12 -179.69 6.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 36.4 pt -124.87 162.73 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.602 ' O ' ' C2 ' ' B' ' 210' ' ' ' U' . . . -52.73 -40.37 62.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' CE ' " H3'" ' B' ' 211' ' ' ' G' . 0.0 OUTLIER -39.93 -28.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 109.253 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.577 ' HB2' ' C4 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -151.17 58.37 0.9 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 45.0 t -74.06 145.2 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -94.06 21.29 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.86 109.28 1.55 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 50.72 2.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 21.7 mtt180 58.68 114.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.218 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 164.13 54.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -39.86 120.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.96 110.97 1.63 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.406 ' HA ' ' O6 ' ' B' ' 209' ' ' ' G' . 42.1 t -65.93 107.3 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.671 ' NE1' ' C6 ' ' B' ' 209' ' ' ' G' . 4.0 p-90 -89.46 10.88 21.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.16 . . . . 0.0 108.007 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -37.07 10.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.49 -41.07 5.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 108.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.38 28.92 4.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -118.92 140.09 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -92.6 165.99 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.217 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.8 -8.73 76.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.964 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 11.4 p-80 -153.1 -179.5 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.617 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.506 ' OE1' ' CG ' ' A' ' 47' ' ' LYS . 4.3 pt20 -134.31 172.9 12.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.428 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 5.3 tmm? -54.8 -47.74 73.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.506 ' CG ' ' OE1' ' A' ' 45' ' ' GLN . 3.2 mmpt? -58.47 -17.23 19.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.35 28.87 6.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.512 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.1 t -64.46 157.99 25.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 108.26 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.4 p -116.93 -10.43 10.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.356 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -52.72 -60.03 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 8.4 ptp85 -56.73 -38.47 72.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 1.9 tp60 -149.17 117.17 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.34 71.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -123.2 146.24 47.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.546 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.574 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.342 -9.21 3 O4'-C4'-C3' 95.144 -7.397 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.574 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.304 -12.384 1 O4'-C4'-C3' 96.621 -6.342 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.573 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.345 -9.04 2 C5'-C4'-O4' 140.194 22.139 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.573 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.093 -29.959 2 C1'-O4'-C4' 123.104 15.005 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.56 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.394 -4.917 3 C1'-O4'-C4' 117.958 9.286 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.56 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.164 -24.118 1 C1'-O4'-C4' 120.228 11.809 . 0.194 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.652 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.096 -29.78 1 C1'-O4'-C4' 122.76 14.623 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.671 ' C6 ' ' NE1' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.409 -3.681 3 C5'-C4'-O4' 145.408 25.863 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.602 ' C2 ' ' O ' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.271 -15.137 1 C1'-O4'-C4' 116.442 7.602 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.583 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.127 -27.143 1 C1'-O4'-C4' 121.479 13.199 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.652 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.737 2 C5'-C4'-O4' 137.334 20.096 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.591 " H2'" ' C6 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.226 -18.906 3 C5'-C4'-O4' 123.29 10.064 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.591 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.078 -31.217 2 C5'-C4'-O4' 129.921 14.801 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.631 ' C8 ' ' OP2' ' B' ' 215' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.924 1 C5'-C4'-O4' 139.096 21.354 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.575 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.089 -30.315 2 C5'-C4'-O4' 136.806 19.719 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.575 ' C8 ' " H2'" ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.157 -24.695 2 C1'-O4'-C4' 121.44 13.156 . 0.018 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.577 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.364 -7.393 3 C1'-O4'-C4' 118.249 9.61 . 0.079 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.577 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.395 -4.853 3 C1'-O4'-C4' 117.923 9.248 . 0.02 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.546 ' N ' HD21 ' A' ' 5' ' ' ASN . 8.3 mtt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.467 0.175 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 71.67 173.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -37.12 72.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.22 -18.32 41.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.546 HD21 ' N ' ' A' ' 1' ' ' MET . 16.4 t-20 -57.84 -36.02 71.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.388 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.2 t80 -60.56 -13.52 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -13.21 19.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -61.12 -14.77 26.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' OE1' ' CE1' ' A' ' 6' ' ' PHE . 1.8 tt0 -55.71 -27.47 50.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -25.08 33.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -130.01 41.18 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.243 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.6 m 81.59 123.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.498 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 2.7 p -90.4 -175.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -127.3 114.91 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 24.7 t -78.2 112.95 15.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -82.64 8.3 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' OD1' ' N2 ' ' B' ' 209' ' ' ' G' . 3.2 t30 -104.5 -57.3 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.6 p -92.82 -33.52 14.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 108.237 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.7 -37.28 3.89 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.9 172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 0.726 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -120.89 161.05 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' N ' HG21 ' A' ' 12' ' ' THR . . . 113.23 -31.9 6.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.115 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 9.2 p-80 -142.63 174.62 10.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.603 ' HB ' ' C5 ' ' B' ' 211' ' ' ' G' . 6.2 pt -118.21 164.7 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.588 ' O ' ' C2 ' ' B' ' 210' ' ' ' U' . . . -53.96 -38.92 65.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' HE3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.2 -27.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.588 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -151.01 57.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 49.5 t -77.28 106.76 9.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.76 7.56 14.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.6 1.187 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' CB ' ' SG ' ' A' ' 28' ' ' CYS . . . -39.76 100.01 0.21 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 18.4 Cg_endo -75.06 -3.78 14.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.588 1.836 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 172.82 115.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 1.3 mttp 165.03 -30.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -38.5 116.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -153.22 151.03 22.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' HIS . 41.9 t -68.74 106.97 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.704 ' CZ2' ' C5 ' ' B' ' 209' ' ' ' G' . 3.9 p-90 -89.94 13.68 14.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CD ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -101.1 -34.74 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.4 p -109.44 -42.16 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.318 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.35 28.47 3.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -120.06 119.43 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 6.6 pt-20 -77.89 159.33 28.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.13 -26.43 22.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.477 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 18.1 p-80 -134.22 -175.84 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 0.785 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.415 ' NE2' ' OP1' ' B' ' 208' ' ' ' G' . 2.5 pt20 -131.49 164.22 26.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.445 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 39.4 ttp -53.5 -50.42 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' NZ ' ' HE2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -54.69 -19.86 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -124.57 37.88 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 13.9 t -76.45 153.57 35.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.405 1.066 . . . . 0.0 108.295 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.8 p -90.89 -23.67 20.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.366 1.041 . . . . 0.0 110.4 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -110.96 57.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -56.78 3.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.38 144.9 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.54 142.35 8.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -68.7 -150.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.527 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.574 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.396 -4.742 3 C5'-C4'-O4' 129.126 14.233 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.574 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.168 -23.758 2 C1'-O4'-C4' 118.739 10.154 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.316 -11.384 2 C1'-O4'-C4' 118.806 10.229 . 0.433 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.076 2 C5'-C4'-O4' 133.925 17.66 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.569 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.164 -24.094 2 C1'-O4'-C4' 121.847 13.608 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.569 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.225 -19.039 2 C1'-O4'-C4' 116.375 7.528 . 0.045 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.646 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.095 -29.844 1 C1'-O4'-C4' 122.817 14.686 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.704 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.406 -3.953 3 C5'-C4'-O4' 147.363 27.259 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.588 ' C2 ' ' O ' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.246 -17.209 1 C1'-O4'-C4' 116.792 7.991 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.603 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.073 -31.667 1 C1'-O4'-C4' 123.318 15.242 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.646 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.847 2 C5'-C4'-O4' 135.333 18.666 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.576 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.251 -16.833 3 C5'-C4'-O4' 127.528 13.092 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.576 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.086 -30.606 2 C1'-O4'-C4' 123.378 15.309 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.674 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.097 1 C5'-C4'-O4' 124.213 10.724 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.674 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.09 -30.228 2 C5'-C4'-O4' 136.652 19.609 . 0.045 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.573 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.155 -24.841 2 C5'-C4'-O4' 132.499 16.642 . 0.522 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.573 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.36 -7.759 3 C5'-C4'-O4' 130.709 15.363 . 0.132 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.391 -5.139 3 C1'-O4'-C4' 118.041 9.379 . 0.043 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.438 0.161 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.38 -59.68 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -59.44 -42.41 91.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.51 53.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -61.87 -35.99 79.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CZ ' HD12 ' A' ' 24' ' ' ILE . 24.9 t80 -59.27 -13.51 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -57.49 -15.16 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.447 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -59.89 -13.26 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.84 -31.92 60.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -18.4 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.5 tptt -129.5 43.16 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 11' ' ' LYS . 24.8 m 74.7 152.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -125.55 -172.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -125.25 119.91 29.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 38.1 t -75.57 108.46 8.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 108.206 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 11.8 t80 -71.16 11.69 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' A' ' 15' ' ' CYS . 4.9 t30 -120.66 -82.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 17' ' ' ASN . 16.9 p -66.28 -24.56 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 108.27 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 95.79 -37.05 3.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 15' ' ' CYS . 6.5 mttt -45.5 149.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 5.4 pm0 -99.28 151.06 21.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.89 -30.63 4.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.627 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.7 p-80 -148.77 175.68 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.616 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.581 HD12 ' CZ ' ' A' ' 6' ' ' PHE . 38.6 pt -112.47 162.21 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.497 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -56.52 -38.67 72.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' NZ ' ' N3 ' ' B' ' 212' ' ' ' A' . 0.0 OUTLIER -40.26 -28.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.519 ' HB2' ' C2 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -149.35 57.45 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.627 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 50.5 t -72.87 119.36 17.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 108.372 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.43 -27.25 69.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' CB ' ' SG ' ' A' ' 28' ' ' CYS . . . -38.74 99.43 0.19 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.99 49.22 2.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.769 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -60.82 177.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.32 47.5 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt 70.04 113.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.403 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -165.37 150.87 19.16 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.568 1.167 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 44.2 t -71.38 105.04 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.97 15.62 8.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.79 -33.57 8.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.7 p -110.16 -44.46 3.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 108.301 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.01 29.59 2.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -121.95 117.44 26.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -75.06 161.42 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.7 -27.05 19.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.8 p-80 -134.61 -173.73 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.598 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.465 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.8 pt20 -133.31 168.74 18.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.419 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 3.2 ttp -53.17 -41.7 65.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -54.13 -28.08 37.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.37 31.4 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 18.8 t -50.89 151.8 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.382 1.051 . . . . 0.0 108.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -110.73 -20.12 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -59.54 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.246 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 74.12 -57.42 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.076 . . . . 0.0 110.343 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 58.06 169.04 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.6 107.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -144.91 -140.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.51 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.577 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.381 -6.005 3 C5'-C4'-O4' 127.308 12.934 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.577 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.305 -12.322 2 O4'-C4'-C3' 96.601 -6.356 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.444 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.105 -28.989 2 C1'-O4'-C4' 122.554 14.393 . 0.475 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.444 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.287 -13.834 3 C5'-C4'-O4' 121.767 8.977 . 0.402 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.492 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.202 -20.942 2 C1'-O4'-C4' 120.675 12.306 . 0.177 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.492 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.384 2 O4'-C4'-C3' 92.43 -9.336 . 0.297 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.644 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.288 -13.767 2 O4'-C4'-C3' 97.008 -6.066 . 0.543 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.467 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.409 -3.652 3 C5'-C4'-O4' 146.316 26.511 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.476 ' C6 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.292 -13.422 2 C5'-C4'-O4' 91.128 -12.908 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.525 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.103 -29.162 1 C1'-O4'-C4' 122.487 14.319 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.644 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.808 3 C5'-C4'-O4' 140.0 22.0 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.579 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.105 -28.997 2 C5'-C4'-O4' 129.495 14.496 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.579 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.218 -19.619 2 C5'-C4'-O4' 145.277 25.769 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.613 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.402 -4.214 1 C5'-C4'-O4' 122.433 9.452 . 0.01 5n . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.613 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.131 -26.828 2 C5'-C4'-O4' 139.882 21.916 . 0.305 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.574 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.167 -23.836 2 C5'-C4'-O4' 128.346 13.675 . 0.248 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.577 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.347 -8.85 3 C5'-C4'-O4' 127.532 13.094 . 0.259 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.577 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.388 -5.435 2 C1'-O4'-C4' 117.972 9.302 . 0.142 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.485 0.183 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 64.16 117.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.499 ' CB ' ' OP1' ' B' ' 212' ' ' ' A' . 0.0 OUTLIER -61.88 -30.32 70.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.9 -24.2 53.32 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.521 1.138 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -57.53 -37.33 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.636 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 1.9 t80 -60.12 -14.55 17.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -58.47 -16.14 13.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.2 p-10 -61.22 -14.67 27.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -56.81 -31.18 64.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -57.68 -19.31 25.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -126.81 39.74 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.605 1.19 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.4 m 81.95 149.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.54 ' CG2' ' CG2' ' A' ' 24' ' ' ILE . 10.8 p -135.4 172.29 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -122.2 129.08 51.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.7 t -88.82 111.42 22.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.04 13.58 5.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 2.9 t30 -108.21 -55.63 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -99.67 -24.77 14.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 108.343 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.28 -42.14 1.97 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.77 161.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 0.721 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -113.9 174.72 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.61 -22.24 41.92 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.599 1.187 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 12.2 p-80 -149.44 173.59 13.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.509 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.636 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 39.4 pt -116.41 161.96 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.416 1.073 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.527 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.55 -38.89 64.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.48 ' CD ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.51 -28.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.375 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.584 ' HB2' ' C5 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.52 57.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.2 t -74.35 148.73 41.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 0.0 108.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.67 36.36 4.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.42 153.06 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.92 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 160.59 14.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -39.18 77.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.78 125.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -114.54 108.24 1.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -61.42 108.32 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.781 ' CZ2' ' C5 ' ' B' ' 209' ' ' ' G' . 1.8 p-90 -90.29 12.59 17.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.612 1.195 . . . . 0.0 107.959 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.96 -39.5 8.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -106.23 -36.95 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.14 26.96 6.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.75 139.04 49.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 157.88 16.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.19 -23.37 35.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 9.7 p-80 -137.2 -177.4 4.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 109.628 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 2.9 pt20 -137.91 169.45 17.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.436 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 9.9 tmm? -53.26 -40.87 64.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.98 -29.73 57.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -124.63 39.33 4.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 8.7 t -62.91 157.96 20.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.317 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.6 t -137.15 16.81 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -124.65 -59.45 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 ttp-105 62.74 81.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.234 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 38.95 76.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.37 75.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -122.65 -159.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.501 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.593 ' C5 ' ' C4 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.385 3 C5'-C4'-O4' 133.504 17.36 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.593 ' C4 ' ' C5 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.227 -18.838 2 C1'-O4'-C4' 115.965 7.073 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.525 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.158 -24.584 1 C1'-O4'-C4' 121.685 13.427 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.525 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.252 -16.722 3 C5'-C4'-O4' 129.476 14.483 . 0.027 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.571 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.172 -23.44 2 C1'-O4'-C4' 121.643 13.381 . 0.012 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.171 -23.538 2 C5'-C4'-O4' 127.604 13.146 . 0.385 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.655 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.076 -31.448 1 C1'-O4'-C4' 123.364 15.294 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.781 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.407 -3.851 3 C5'-C4'-O4' 138.774 21.124 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.493 ' C2 ' ' O ' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.413 -3.354 2 C5'-C4'-O4' 97.701 -8.213 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.589 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.097 -29.674 2 C1'-O4'-C4' 122.814 14.682 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.655 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.451 2 C5'-C4'-O4' 135.378 18.699 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.574 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.24 -17.737 3 C5'-C4'-O4' 128.478 13.77 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.574 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.102 -29.209 1 C1'-O4'-C4' 121.363 13.07 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.755 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.207 2 C5'-C4'-O4' 95.62 -9.7 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.755 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.077 -31.308 2 C1'-O4'-C4' 122.937 14.819 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.634 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.178 -22.937 2 C1'-O4'-C4' 121.02 12.689 . 0.108 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.634 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.373 -6.685 3 C1'-O4'-C4' 117.449 8.721 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.57 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.392 -5.07 2 C1'-O4'-C4' 116.815 8.017 . 0.131 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.546 0.212 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.67 114.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' CB ' ' OP1' ' B' ' 212' ' ' ' A' . 0.0 OUTLIER -57.27 -33.36 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' A' ' 3' ' ' LYS . . . -59.51 -20.29 50.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -58.33 -35.18 71.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 t80 -60.08 -13.95 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -58.78 -15.57 12.82 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.43 -16.76 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.11 -29.87 61.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -25.13 52.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' THR . 8.4 pttt -127.57 39.26 3.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 4.0 m 77.39 122.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.45 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.513 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -94.33 -174.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -131.42 118.77 20.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 t -81.37 113.13 19.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.66 9.36 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -105.78 -56.49 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -92.91 -30.62 15.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 108.335 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.19 -36.9 4.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.19 172.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.28 166.33 15.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.98 -27.18 18.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 7.8 p-80 -145.96 163.88 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 41.3 pt -108.35 161.24 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.18 -36.2 60.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' CE ' " H1'" ' B' ' 213' ' ' ' G' . 0.0 OUTLIER -41.61 -28.66 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.577 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.06 56.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.645 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 47.5 t -72.14 149.01 45.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HG2' ' CE1' ' A' ' 23' ' ' HIS . 13.2 ptt-85 -114.79 33.09 5.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -38.78 154.04 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.6 8.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.486 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 2.4 mtt180 70.9 120.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 32' ' ' ARG . 1.3 tptm 175.28 72.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' LYS . 1.1 mttm -38.21 114.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -166.25 163.94 37.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.591 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 49.9 t -73.41 108.38 6.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.51 18.38 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 107.944 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -110.72 -34.01 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.82 -41.24 3.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 108.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.89 -40.38 1.75 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 118.93 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.1 pm0 -82.69 175.15 10.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.38 -14.2 55.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.036 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 8.9 p-80 -138.59 -179.71 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.545 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.428 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.9 pt20 -132.79 166.43 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.464 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 28.4 ttp -53.44 -49.55 67.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -55.68 -18.14 7.33 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 0.0 109.212 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.36 35.11 4.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.505 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 14.9 t -73.39 147.49 44.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 t -128.18 22.53 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.43 -59.42 2.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.5 -57.56 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.246 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.68 163.16 40.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.85 130.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.578 ' CG ' ' N ' ' A' ' 56' ' ' NH2 . 10.8 p-10 -179.55 -138.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . 0.578 ' N ' ' CG ' ' A' ' 55' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.687 ' C ' H5'A ' B' ' 201' ' ' CG1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.577 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.388 -5.455 3 C5'-C4'-O4' 133.271 17.193 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.577 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.265 -15.69 3 C1'-O4'-C4' 115.042 6.046 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.528 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.144 -25.713 2 C5'-C4'-O4' 140.262 22.187 . 0.341 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.528 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.096 -29.726 2 C5'-C4'-O4' 130.796 15.426 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.523 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.241 -17.649 1 C1'-O4'-C4' 119.449 10.943 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.537 ' C4 ' ' C6 ' ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.331 1 O4'-C4'-C3' 92.357 -9.388 . 0.115 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.65 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.153 -25.016 2 C1'-O4'-C4' 120.174 11.749 . 0.313 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.539 ' C6 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.411 -3.514 3 C5'-C4'-O4' 149.583 28.845 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.542 " C4'" ' OP2' ' B' ' 211' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.105 -28.987 2 C1'-O4'-C4' 122.786 14.651 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.615 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.084 -30.754 1 C1'-O4'-C4' 123.352 15.28 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.65 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.643 3 C5'-C4'-O4' 142.024 23.446 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.579 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.128 -27.104 2 C1'-O4'-C4' 121.273 12.97 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.579 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.103 -29.173 1 C1'-O4'-C4' 121.14 12.822 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.7 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.042 2 C5'-C4'-O4' 96.164 -9.311 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.7 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.154 -24.877 2 C5'-C4'-O4' 140.713 22.509 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.605 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.148 -25.414 2 C5'-C4'-O4' 129.348 14.391 . 0.338 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.605 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.395 -4.807 2 C5'-C4'-O4' 140.632 22.452 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.574 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.15 -25.271 2 C5'-C4'-O4' 141.933 23.381 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.52 0.2 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -39.47 136.14 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -40.49 83.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.81 -25.29 58.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.612 1.195 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.87 -35.35 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 0.717 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 24' ' ' ILE . 11.7 t80 -60.04 -13.84 13.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -59.42 -14.94 14.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.431 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.1 p-10 -61.24 -14.07 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.538 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 2.3 tt0 -56.21 -29.35 60.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -20.66 20.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 12' ' ' THR . 14.9 mttt -128.19 41.53 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.1 m 83.55 150.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.439 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.475 HG22 ' CG2' ' A' ' 24' ' ' ILE . 2.8 p -125.77 -175.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -130.34 122.12 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 t -89.44 112.97 24.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 1.1 p90 -82.72 7.05 16.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -102.9 -58.17 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -91.45 -32.7 15.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 108.267 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.25 -36.63 4.27 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.69 175.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 0.727 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.3 159.84 30.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.35 -32.31 5.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 12.2 p-80 -140.05 170.41 15.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 0.786 . . . . 0.0 109.641 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.593 ' HB ' ' C5 ' ' B' ' 211' ' ' ' G' . 20.7 pt -113.12 162.22 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.372 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.6 -36.1 64.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HG2' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -41.96 -28.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.57 ' HB2' ' C2 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.11 56.8 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.62 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 47.4 t -73.13 147.72 44.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 108.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -125.16 36.49 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.29 133.78 94.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.22 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 50.42 2.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.35 146.42 47.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 0.0 110.31 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -93.06 -74.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -151.13 115.78 5.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -159.05 152.89 24.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' HIS . 42.1 t -71.75 104.84 3.53 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.36 15.74 8.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 107.989 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -104.17 -33.44 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.4 p -110.45 -44.4 3.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.93 29.86 2.48 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.8 117.25 25.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.469 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 13.9 pt-20 -74.57 164.88 26.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.64 -24.34 31.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.568 1.168 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.514 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.2 p-80 -137.51 -174.31 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.448 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.8 pt20 -132.94 168.82 17.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.415 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 5.5 tmm? -53.73 -43.02 68.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.62 -24.86 23.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -126.02 32.81 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.391 1.057 . . . . 0.0 109.337 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.514 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 18.1 t -56.28 151.39 12.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.247 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 p -127.18 24.65 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.456 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.21 65.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -82.59 141.38 32.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.2 122.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.229 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.31 75.88 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 177.18 131.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.526 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.568 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.397 -4.645 3 C5'-C4'-O4' 129.076 14.197 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.568 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.293 -13.352 2 O4'-C4'-C3' 97.025 -6.053 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.468 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.171 -23.46 2 C5'-C4'-O4' 133.804 17.574 . 0.124 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.47 " H2'" " C1'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.211 -20.134 2 C5'-C4'-O4' 122.414 9.438 . 0.106 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.576 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.223 -19.2 1 C1'-O4'-C4' 120.615 12.239 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.576 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.239 -17.857 3 C1'-O4'-C4' 118.239 9.599 . 0.28 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.507 ' N2 ' ' C5 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.106 -28.887 1 C1'-O4'-C4' 122.22 14.022 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.495 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.408 -3.727 3 C5'-C4'-O4' 127.236 12.883 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.492 ' C5 ' " O2'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.398 -4.6 2 C5'-C4'-O4' 94.606 -10.424 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.593 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.128 -27.078 2 C1'-O4'-C4' 121.344 13.049 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.559 ' P ' " O2'" ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.628 2 C5'-C4'-O4' 138.524 20.946 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.578 " H2'" ' C4 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.095 -29.808 2 C5'-C4'-O4' 131.324 15.803 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.578 ' C4 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.202 -20.906 2 C5'-C4'-O4' 144.567 25.262 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.804 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.398 -4.563 1 C5'-C4'-O4' 124.189 10.707 . 0.0 OUTLIER '7D dist 5n wannabe' 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.804 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.152 -25.058 2 C5'-C4'-O4' 138.945 21.246 . 0.181 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.589 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.16 -24.413 2 C5'-C4'-O4' 131.051 15.608 . 0.096 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.589 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.395 -4.856 2 O4'-C4'-C3' 93.529 -8.551 . 0.335 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.574 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.392 -5.068 2 O4'-C4'-C3' 93.587 -8.51 . 0.158 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.7 mtt . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.502 0.191 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 179.14 -59.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' CB ' ' OP1' ' B' ' 212' ' ' ' A' . 4.0 ptmm? -59.82 -43.32 94.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.54 -20.05 44.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -62.73 -37.53 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 3.9 t80 -60.23 -14.3 17.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 7.7 mmt85 -59.35 -15.22 15.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -59.55 -16.17 23.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 1.8 tt0 -56.68 -29.49 62.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -25.11 47.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -128.09 39.89 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 3.9 m 77.63 123.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.501 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -93.75 -175.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -136.74 120.39 17.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.352 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 t -78.07 111.81 14.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 108.322 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -83.58 8.16 15.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 6.6 t30 -102.74 -56.45 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -92.3 -32.47 15.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.338 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 109.75 -37.2 3.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -46.58 171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -122.61 160.62 25.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.74 -31.23 6.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 15.3 p-80 -140.72 174.34 10.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.62 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.581 ' HB ' ' C5 ' ' B' ' 211' ' ' ' G' . 36.6 pt -117.59 162.61 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.515 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.02 -37.78 64.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' CE ' " H1'" ' B' ' 213' ' ' ' G' . 0.0 OUTLIER -40.61 -28.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.467 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.77 57.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.62 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.9 t -72.54 131.82 43.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.328 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' PRO . 1.9 ttt180 -65.66 -34.29 77.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -39.07 99.7 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.5 Cg_endo -74.91 49.02 2.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -75.04 117.94 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 5.2 ptpt -66.49 -53.87 30.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 4.2 mttt -173.21 115.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -160.62 151.32 21.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.504 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 43.8 t -77.2 107.27 9.46 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.32 14.31 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.014 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -102.07 -36.88 8.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.4 1.062 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 27.3 p -109.08 -42.25 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 108.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.4 28.47 3.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 116.68 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.7 155.88 38.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.0 -30.0 8.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 27.4 p-80 -131.17 -176.33 3.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 109.567 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.434 ' NE2' ' CB ' ' A' ' 47' ' ' LYS . 1.3 pt20 -132.47 169.13 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ttt -53.35 -51.11 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' CB ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -55.53 -18.1 6.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -125.61 37.38 4.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.9 t -80.51 148.8 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -139.75 29.56 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -139.61 60.81 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.93 167.96 22.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.185 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.4 132.55 36.67 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.64 111.56 19.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -137.92 -31.44 0.78 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.57 1.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.102 -29.286 2 C1'-O4'-C4' 122.727 14.586 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.568 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.374 -6.587 1 O4'-C4'-C3' 93.452 -8.605 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.533 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.161 -24.321 2 C5'-C4'-O4' 141.222 22.873 . 0.112 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.533 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.096 -29.72 2 C5'-C4'-O4' 130.847 15.462 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.561 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.22 -19.436 1 C1'-O4'-C4' 119.844 11.383 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.561 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.41 2 O4'-C4'-C3' 92.684 -9.154 . 0.799 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.647 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.199 -21.193 1 C1'-O4'-C4' 118.014 9.349 . 0.186 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.464 " O2'" ' C5 ' ' B' ' 210' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.402 -4.213 3 C5'-C4'-O4' 142.852 24.037 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.464 ' C5 ' " O2'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.276 2 C5'-C4'-O4' 135.734 18.953 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.581 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.079 -31.148 1 C1'-O4'-C4' 123.409 15.344 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.647 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.62 2 C5'-C4'-O4' 136.915 19.796 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.583 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.107 -28.831 2 C1'-O4'-C4' 122.362 14.18 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.583 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.105 -29.012 2 C1'-O4'-C4' 122.932 14.813 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.802 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.402 -4.277 2 C1'-O4'-C4' 115.061 6.068 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.802 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.103 -29.133 2 C5'-C4'-O4' 133.319 17.228 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.573 ' C8 ' " H2'" ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.161 -24.3 2 C5'-C4'-O4' 130.27 15.05 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.583 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.303 -12.511 2 C5'-C4'-O4' 135.596 18.854 OUTLIER-DELTA 0.024 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.583 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.383 -5.863 3 C1'-O4'-C4' 118.196 9.551 . 0.079 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.472 0.177 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 39.12 67.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -58.08 -27.5 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.46 -16.98 38.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -57.75 -35.32 70.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 109.371 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.701 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -59.16 -14.25 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -17.64 9.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.83 -14.79 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.42 ' NE2' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -55.89 -31.79 63.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -58.31 -24.97 61.28 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 12' ' ' THR . 2.1 mmtp -119.72 26.02 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.7 m 83.66 126.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.524 ' CG1' ' C ' ' A' ' 23' ' ' HIS . 1.1 p -89.27 -172.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -129.79 110.41 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 35.3 t -74.99 113.17 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 61.3 t80 -80.99 16.5 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.495 ' OD1' ' C4 ' ' B' ' 210' ' ' ' U' . 3.9 t30 -115.8 -66.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -82.99 -16.99 45.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 108.328 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 76.84 20.0 76.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -171.7 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' HG3' ' CG2' ' A' ' 12' ' ' THR . 11.3 pt-20 -133.59 150.25 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' N ' HG23 ' A' ' 12' ' ' THR . . . 111.02 -31.46 7.23 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.617 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.1 p-80 -140.38 167.32 22.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 0.714 . . . . 0.0 109.556 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.701 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 7.0 pt -115.88 156.46 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HB2' ' C2 ' ' B' ' 210' ' ' ' U' . . . -53.29 -37.0 61.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.502 ' CE ' " H4'" ' B' ' 213' ' ' ' G' . 0.0 OUTLIER -41.43 -28.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.603 1.189 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.581 ' HB2' ' C5 ' ' B' ' 215' ' ' ' A' . 0.2 OUTLIER -149.83 56.56 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.617 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.6 t -69.8 154.63 41.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 108.286 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.54 21.39 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.1 116.53 55.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 50.84 2.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.428 1.752 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -106.84 135.55 48.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.16 -72.66 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -150.78 114.68 5.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.13 154.0 24.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' HIS . 42.3 t -73.19 105.34 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.98 15.92 7.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 108.032 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -34.53 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.6 p -110.16 -44.38 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 108.327 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.86 29.57 2.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.155 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.88 115.0 22.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -73.15 159.98 32.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.19 -27.33 17.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.6 p-80 -134.31 -174.65 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.75 . . . . 0.0 109.569 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.7 pt20 -132.71 168.26 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.42 1.075 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.412 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 6.6 ttp -53.35 -43.36 67.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.449 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.73 -25.38 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.22 34.61 4.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 19.0 t -58.25 151.31 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 108.287 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.6 p -88.2 -26.09 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.05 62.04 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -60.14 124.25 19.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 74.75 -59.52 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 56' ' ' NH2 . . . 62.61 78.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 59.77 -32.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . 0.731 ' N ' ' O ' ' A' ' 54' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' CG1 . . . . . 0.56 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.581 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.355 -8.193 3 C5'-C4'-O4' 134.553 18.109 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' ' C' . . . . . 0.581 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.266 -15.554 2 C1'-O4'-C4' 115.811 6.901 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' ' G' . . . . . 0.55 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.189 -21.993 2 C5'-C4'-O4' 142.469 23.764 . 0.298 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' ' A' . . . . . 0.55 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.099 -29.49 2 C5'-C4'-O4' 131.082 15.63 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' ' C' . . . . . 0.55 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.185 -22.354 2 C5'-C4'-O4' 132.227 16.448 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 207' ' ' ' U' . . . . . 0.55 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.22 -19.416 2 C5'-C4'-O4' 134.579 18.128 OUTLIER-DELTA 0.042 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 208' ' ' ' G' . . . . . 0.66 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.259 -16.18 1 C5'-C4'-O4' 145.051 25.608 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.519 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.407 -3.815 2 C5'-C4'-O4' 152.416 30.868 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' ' U' . . . . . 0.531 ' C2 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.41 -3.563 3 C5'-C4'-O4' 146.501 26.644 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' B' B ' 211' ' ' ' G' . . . . . 0.469 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.069 -31.978 1 C1'-O4'-C4' 123.568 15.52 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' B' B ' 212' ' ' ' A' . . . . . 0.66 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.077 2 C5'-C4'-O4' 135.771 18.979 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.564 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.188 -22.052 2 C5'-C4'-O4' 128.799 13.999 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 214' ' ' ' U' . . . . . 0.564 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.096 -29.728 1 C1'-O4'-C4' 122.723 14.581 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' B' B ' 215' ' ' ' A' . . . . . 0.581 ' C5 ' ' HB2' ' A' ' 27' ' ' ASN . . . . . . . . 1 O4'--C4' 1.403 -4.207 2 C5'-C4'-O4' 97.94 -8.043 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' B' B ' 216' ' ' ' C' . . . . . 0.57 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.088 -30.388 2 C5'-C4'-O4' 134.568 18.12 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.594 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.177 -22.968 2 C5'-C4'-O4' 126.989 12.706 . 0.013 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 218' ' ' ' C' . . . . . 0.594 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.224 -19.071 2 C1'-O4'-C4' 120.788 12.432 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.564 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.395 -4.81 3 C1'-O4'-C4' 117.54 8.823 . 0.55 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.73 -36.48 81.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.84 -19.63 44.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -57.82 -36.6 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.752 ' CE1' HD13 ' A' ' 24' ' ' ILE . 7.7 t80 -60.44 -13.41 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.078 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.15 -13.07 15.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -59.26 -15.61 16.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.479 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 1.3 tm0? -55.86 -27.45 51.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -23.04 26.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 12' ' ' THR . 4.8 mmtt -131.67 41.32 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.4 m 82.59 123.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.931 HG11 HG23 ' A' ' 24' ' ' ILE . 2.8 p -97.35 -175.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.718 ' H ' HG22 ' A' ' 13' ' ' VAL . 3.6 tttt -125.78 108.57 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 31.3 t -70.4 115.34 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.36 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -82.72 14.86 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 111.072 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.562 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.5 t30 -114.5 -58.29 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -92.51 -29.02 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 100.8 -33.33 6.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.412 1.07 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -46.48 171.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HG3' ' CG2' ' A' ' 12' ' ' THR . 12.2 pt-20 -120.34 159.43 25.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.02 -30.78 7.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.566 1.167 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 15.9 p-80 -141.87 174.74 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.583 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.931 HG23 HG11 ' A' ' 13' ' ' VAL . 31.8 pt -122.12 159.18 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -52.43 -39.57 61.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.665 ' HD3' HD11 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -40.33 -28.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.462 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -151.41 57.77 0.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.645 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.8 t -72.27 146.09 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -91.97 18.22 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB1' ' HD3' ' A' ' 32' ' ' ARG . . . -68.26 113.16 13.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 51.03 2.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HD3' ' HB1' ' A' ' 30' ' ' ALA . 10.1 ptt-85 -108.07 152.33 24.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -96.14 -58.66 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -167.49 117.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -158.99 155.79 26.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.618 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 47.0 t -74.06 107.72 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.38 11.99 15.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.017 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -39.04 8.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 p -108.4 -43.3 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 108.257 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.28 27.34 3.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.576 1.173 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.49 114.07 25.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -71.27 155.89 40.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.48 -30.09 8.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.618 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 6.7 p80 -132.16 -176.15 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 0.698 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.7 pt20 -129.83 170.2 14.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -54.65 -48.1 72.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -59.23 -15.85 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -123.67 29.04 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 19.4 t -72.87 150.38 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.307 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.0 p -88.34 -26.19 22.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.403 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.67 93.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.94 -20.99 51.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.11 -36.42 72.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 0.741 . . . . 0.0 109.271 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.734 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 1.9 t80 -59.85 -13.88 12.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 62.3 mtt180 -58.43 -15.65 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -56.8 -18.15 11.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.592 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 1.2 tt0 -55.47 -26.7 43.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -56.18 -27.59 55.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -127.64 36.78 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 3.4 m 79.4 123.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 0.0 110.468 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 14' ' ' LYS . 3.5 p -92.22 -176.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.737 ' H ' HG22 ' A' ' 13' ' ' VAL . 9.3 tttt -135.46 130.19 34.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -85.33 111.35 19.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -87.45 14.73 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.547 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 6.8 t30 -110.63 -48.59 3.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.02 -26.41 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.244 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 107.9 -47.46 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -38.29 141.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' CG ' ' HA ' ' A' ' 14' ' ' LYS . 3.1 mt-10 -103.12 158.13 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.434 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 115.59 -31.58 6.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 21.7 p-80 -135.04 179.28 6.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.568 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.734 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 26.5 pt -117.04 155.41 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.547 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -51.67 -37.43 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HE3' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -39.45 -30.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -148.8 57.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.64 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.4 t -70.25 149.44 47.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.189 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -57.43 -16.83 10.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -39.67 100.34 0.21 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.94 49.7 2.31 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.555 1.819 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.37 122.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 170.6 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.36 126.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.35 113.09 1.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' HIS . 43.7 t -67.6 108.03 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -91.78 20.82 5.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CB ' ' HB2' ' A' ' 46' ' ' MET . 3.2 tptt -109.25 -34.65 6.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 27.0 p -109.61 -33.55 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 108.298 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.06 27.85 8.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.0 137.94 53.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 0.756 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -91.93 164.67 13.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.95 13.06 67.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.474 ' CE1' ' HA ' ' A' ' 49' ' ' CYS . 1.9 p80 -173.52 175.02 3.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 0.808 . . . . 0.0 109.627 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.45 ' OE1' ' CB ' ' A' ' 47' ' ' LYS . 1.6 pt20 -131.08 167.24 19.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.436 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 14.4 tmm? -53.38 -49.88 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' CB ' ' OE1' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -53.71 -21.9 8.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -125.01 37.91 4.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 6.0 t -70.91 163.83 26.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.8 p -117.0 -6.81 11.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -61.37 -43.66 98.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.36 -13.13 35.27 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 14.4 t-20 -57.58 -24.62 57.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.585 ' CE1' HD13 ' A' ' 24' ' ' ILE . 10.5 t80 -58.8 -14.3 8.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -55.91 -17.34 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -60.38 -12.97 10.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -55.02 -31.36 61.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -55.53 -18.02 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -130.28 43.76 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 11' ' ' LYS . 24.7 m 74.55 149.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.722 HG22 ' H ' ' A' ' 14' ' ' LYS . 3.5 p -133.95 -176.55 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.722 ' H ' HG22 ' A' ' 13' ' ' VAL . 6.9 tttt -120.76 122.17 39.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.526 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 35.3 t -70.97 109.62 5.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.391 1.057 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 2.5 t80 -69.61 6.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.538 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 t30 -116.41 -82.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 17.5 p -63.46 -27.36 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 96.86 -36.21 4.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.58 148.3 3.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 2.1 pm0 -93.93 165.04 12.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.26 -33.27 5.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 25.2 p-80 -147.64 -177.32 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 109.6 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.837 HD11 ' HD2' ' A' ' 26' ' ' LYS . 22.9 pt -120.47 158.67 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.538 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -54.41 -37.09 64.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.837 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.21 -28.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.552 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -150.31 56.85 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.364 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.611 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.9 t -71.94 149.68 44.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.1 34.82 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.4 143.45 0.83 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 49.22 2.2 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.92 144.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -72.25 -59.94 2.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -129.8 116.94 19.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.14 148.18 19.31 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.587 1.179 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.619 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 42.8 t -75.71 105.94 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.13 13.0 12.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -100.63 -36.01 9.3 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HG ' ' HB3' ' A' ' 36' ' ' CYS . 28.4 p -110.83 -44.89 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.75 29.8 2.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.27 122.05 41.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -76.4 158.74 31.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.247 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.96 -27.45 16.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.619 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 6.5 p80 -135.07 -177.23 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 0.78 . . . . 0.0 109.654 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 2.0 pt20 -128.6 173.08 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.462 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 9.3 tmm? -54.37 -51.16 65.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.067 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 2.1 mtpp -62.24 -11.77 16.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.11 23.14 11.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 12.2 t -71.94 156.68 38.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 108.285 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 t -145.28 21.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 4.9 mt-30 . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 53.5 pttt -60.79 -45.32 94.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 3' ' ' LYS . . . -60.4 -13.53 30.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 19.4 t-20 -56.61 -19.29 15.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.915 ' CE1' HD13 ' A' ' 24' ' ' ILE . 5.6 t80 -60.22 -14.84 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -11.77 16.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -60.84 -14.32 21.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.464 ' OE1' ' CE1' ' A' ' 6' ' ' PHE . 7.3 tt0 -55.22 -26.18 37.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -54.34 -24.59 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -131.96 42.84 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.3 m 83.82 123.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.457 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 14' ' ' LYS . 1.3 p -98.77 -174.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.635 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -135.17 127.9 31.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 39.0 t -90.25 116.09 27.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 1.138 . . . . 0.0 108.253 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.445 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.8 p90 -85.59 18.71 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.493 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 3.1 t-20 -116.02 -54.07 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.6 p -94.3 -26.72 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.26 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.0 34.34 18.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -122.61 145.63 48.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.384 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 3.7 pt-20 -88.63 157.79 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.196 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.95 -32.64 5.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.633 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 17.0 p-80 -147.47 173.95 12.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.764 . . . . 0.0 109.572 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.915 HD13 ' CE1' ' A' ' 6' ' ' PHE . 13.3 pt -119.35 159.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.535 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.22 -38.39 62.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.719 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.73 -28.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.496 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -151.03 57.58 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.633 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.9 t -72.31 143.57 48.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.296 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 28.75 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.83 112.83 10.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 50.83 2.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.481 1.78 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.42 -179.77 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.15 48.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.8 mttp 70.04 113.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.64 152.26 21.83 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.48 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 43.5 t -71.0 105.99 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.77 14.72 9.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -102.83 -34.19 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.452 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 29.0 p -110.74 -44.85 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 108.298 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.0 29.72 2.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.08 116.1 25.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 8.7 pm0 -73.21 157.57 36.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.02 -30.25 8.52 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.433 1.083 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.506 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 25.8 p-80 -131.96 -174.28 3.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 0.781 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.9 pt20 -131.44 168.95 16.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -53.53 -41.25 66.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.474 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 2.7 tppt? -53.99 -28.48 38.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.28 30.23 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.506 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 22.7 t -48.44 141.86 6.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' GLU . 15.1 t -128.23 2.9 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.41 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -58.65 -40.51 83.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.57 -25.38 58.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.499 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 9.9 t-20 -57.3 -35.77 70.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 0.719 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.502 ' CE2' HD13 ' A' ' 24' ' ' ILE . 5.0 t80 -58.22 -24.5 59.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -12.55 16.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 5' ' ' ASN . 14.0 p30 -58.76 -16.44 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.419 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.68 -33.24 66.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -19.12 14.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -130.09 41.97 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.0 m 84.59 141.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.379 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.614 HG21 ' CG2' ' A' ' 24' ' ' ILE . 7.3 p -124.08 169.29 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.555 ' N ' HG22 ' A' ' 13' ' ' VAL . 5.6 tttt -116.3 125.01 51.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 29.6 t -87.67 115.08 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.247 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.7 p90 -82.75 14.26 3.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 1.9 t-20 -113.69 -57.15 2.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HG ' ' CB ' ' A' ' 15' ' ' CYS . 19.9 p -93.65 -30.86 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 108.327 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 103.76 -36.73 4.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -48.35 175.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 109.303 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 12.3 pt-20 -124.98 162.07 25.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 114.96 -32.73 5.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.606 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 21.9 p-80 -139.64 -177.52 4.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.859 HD11 ' HD2' ' A' ' 26' ' ' LYS . 22.6 pt -122.87 158.23 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -52.46 -35.99 53.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.859 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.14 -31.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.511 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -148.31 56.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 41.8 t -71.2 147.45 48.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.323 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 ptt85 -111.72 30.55 6.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.9 140.95 1.38 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 49.48 2.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -164.21 153.72 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -87.01 -70.46 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -133.79 116.8 16.14 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.451 1.095 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -156.59 159.17 29.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.625 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 47.7 t -76.44 106.72 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.36 14.04 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 107.97 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.15 -36.19 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.409 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 28.2 p -110.36 -43.38 3.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.588 1.18 . . . . 0.0 108.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.56 28.72 3.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 112.79 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.473 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 7.2 pt-20 -70.41 155.93 40.03 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.614 1.196 . . . . 0.0 110.227 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.94 -29.66 9.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.625 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 7.0 p80 -131.82 -176.57 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.75 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.7 pt20 -131.45 167.66 18.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.8 ttp -53.34 -51.42 62.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -55.13 -18.37 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -125.31 38.58 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.2 t -82.64 149.21 27.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.1 p -81.09 -31.1 34.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.374 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -59.21 -30.64 68.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.9 -27.33 61.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.18 -24.87 60.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.776 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 66.1 t80 -60.42 -15.69 28.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -58.93 -15.9 15.14 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -58.19 -17.83 21.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.491 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 20.3 tt0 -57.67 -31.66 66.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.577 1.173 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.65 -25.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.417 1.073 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -111.54 -22.77 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.382 1.051 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.57 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 161.6 140.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.431 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.592 HG12 ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -121.48 172.85 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.083 . . . . 0.0 109.237 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.84 123.67 45.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 37.5 t -82.21 111.17 18.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.47 9.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 7.5 t30 -118.87 -81.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 21.0 p -63.37 -24.29 67.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 89.23 -30.01 5.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -49.16 177.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.5 pt-20 -122.28 161.18 23.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.244 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.07 -32.64 6.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 18.0 p-80 -145.07 174.6 10.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.604 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.776 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 8.0 pt -117.03 154.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -52.36 -36.42 53.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.606 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.85 -27.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.569 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -150.52 56.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.272 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.61 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 44.1 t -71.93 146.06 48.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -93.28 19.05 8.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.364 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.16 114.31 36.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 50.72 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -83.24 176.31 9.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -140.48 48.93 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 70.46 115.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.93 149.72 16.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.631 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 42.4 t -70.3 104.29 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.09 16.69 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -105.52 -32.56 8.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.9 p -110.41 -44.47 3.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 108.241 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.07 30.12 2.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 111.062 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.46 117.97 26.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 12.3 pt-20 -75.87 166.56 23.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.48 -22.93 38.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.137 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.631 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 5.3 p80 -138.84 -173.38 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 0.813 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.5 pt20 -133.94 167.07 21.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -53.16 -42.81 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.86 -24.99 17.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -126.37 34.16 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.626 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 15.0 t -58.04 153.13 15.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.291 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.9 p -125.57 22.11 7.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -60.79 -41.66 96.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.098 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.37 -18.45 43.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -57.9 -35.48 71.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.87 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 3.1 t80 -59.77 -13.92 12.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -58.8 -15.29 11.64 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -60.81 -13.96 18.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 4.1 tt0 -55.69 -30.78 61.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -55.45 -20.13 11.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -130.11 43.01 3.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.9 m 84.81 145.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -122.91 -175.22 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' N ' HG13 ' A' ' 13' ' ' VAL . 47.8 tttt -134.27 109.54 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 25.3 t -72.21 114.95 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 108.259 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.437 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.1 p90 -80.67 8.77 7.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 2.3 t30 -107.64 -64.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 19.1 p -83.23 -26.95 30.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 99.69 -36.43 4.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' GLY . 24.3 mttp -47.0 173.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -121.9 159.1 27.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.337 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.51 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 114.85 -32.55 5.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.663 ' N ' HG12 ' A' ' 13' ' ' VAL . 14.2 p-80 -141.87 173.01 11.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.58 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.87 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 28.4 pt -116.18 163.2 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.92 -37.32 63.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.671 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.44 -29.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.185 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.536 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -150.38 57.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 41.8 t -73.12 113.75 10.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -89.99 18.91 5.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -47.6 151.91 1.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 48.13 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 165.44 -179.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 18.34 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER 65.35 -173.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -153.08 -176.59 25.76 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.539 1.15 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.607 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 52.9 t -60.95 123.51 17.8 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.658 ' CE3' ' HE1' ' A' ' 46' ' ' MET . 14.7 m0 -70.7 -5.41 29.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -90.19 -76.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.607 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 18.2 p -67.85 -45.92 73.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 108.283 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.482 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . 97.43 43.56 2.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -117.67 126.33 52.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 0.747 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -73.37 147.31 44.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.86 -28.67 10.87 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 10.7 p-80 -132.22 160.61 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.75 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -120.42 177.15 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 110.245 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.658 ' HE1' ' CE3' ' A' ' 37' ' ' TRP . 69.5 mtm -54.52 -49.58 69.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -15.99 13.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -131.66 42.38 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 48.8 t -93.09 114.7 27.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.21 2.46 55.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -20.3 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.48 -17.94 42.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.79 -35.24 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CE1' HD13 ' A' ' 24' ' ' ILE . 3.7 t80 -59.14 -14.55 10.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -56.25 -17.5 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -60.48 -14.75 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.488 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 10.9 tm0? -55.96 -33.43 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -46.61 -23.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -110.52 -24.49 10.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 158.06 153.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.729 HG22 ' H ' ' A' ' 14' ' ' LYS . 2.6 p -143.24 -175.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.729 ' H ' HG22 ' A' ' 13' ' ' VAL . 3.7 tttt -131.1 129.33 41.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 34.6 t -94.18 111.48 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 108.321 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.29 10.08 9.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.454 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 2.4 t-20 -103.68 -54.5 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -92.89 -35.88 13.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 108.352 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.15 35.12 5.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.52 148.22 50.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.184 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -90.17 160.03 16.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.48 -32.25 5.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 13.2 p-80 -148.88 174.71 11.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.65 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.85 HD11 ' HD2' ' A' ' 26' ' ' LYS . 23.9 pt -118.28 163.52 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.88 -38.54 64.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.85 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.19 -29.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -150.17 57.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 49.5 t -73.93 146.22 44.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -33.29 69.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.209 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -39.55 103.02 0.27 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 49.9 2.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 68.64 146.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 173.83 72.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -40.17 113.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -173.64 146.04 8.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.416 1.072 . . . . 0.0 111.001 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.64 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 51.0 t -69.3 104.7 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.75 18.64 4.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 107.974 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.83 -32.15 7.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.2 p -110.2 -44.68 3.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.09 29.85 2.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.21 118.57 28.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 0.72 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.473 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -77.1 161.39 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.17 -26.88 20.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.64 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 5.5 p80 -134.41 -172.85 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.459 ' OE1' ' CG ' ' A' ' 47' ' ' LYS . 2.2 pt20 -134.23 172.25 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.2 ttp -54.83 -48.55 72.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.459 ' CG ' ' OE1' ' A' ' 45' ' ' GLN . 27.0 mttm -62.34 -11.88 17.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.54 22.23 9.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.5 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 12.0 t -71.32 155.08 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.329 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.6 p -93.2 -21.52 19.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.245 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -58.76 -40.78 84.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.64 -24.95 57.8 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -58.45 -35.6 72.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.574 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 19.8 t80 -60.13 -13.25 11.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -60.77 -12.51 10.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -59.74 -13.62 10.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -55.2 -33.78 63.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.392 1.058 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -18.4 8.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 12' ' ' THR . 4.8 mttt -128.13 42.51 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.607 HG23 ' HA2' ' A' ' 22' ' ' GLY . 25.0 m 74.65 149.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.806 HG11 HG23 ' A' ' 24' ' ' ILE . 1.1 p -121.3 -174.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.621 ' H ' HG22 ' A' ' 13' ' ' VAL . 10.0 tttt -121.58 116.61 24.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 34.7 t -81.44 106.65 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.336 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.02 0.69 12.88 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.504 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 1.8 t-20 -98.23 -76.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -70.66 -31.84 68.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 108.267 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 105.03 -31.46 8.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' GLY . 3.6 ttmt -51.71 -176.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -131.58 157.83 42.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.607 ' HA2' HG23 ' A' ' 12' ' ' THR . . . 116.48 -33.89 4.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.632 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 25.3 p-80 -137.77 178.77 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 0.803 . . . . 0.0 109.562 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.806 HG23 HG11 ' A' ' 13' ' ' VAL . 25.9 pt -121.19 160.89 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -54.32 -37.73 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.635 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.14 -29.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.516 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -150.73 57.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.632 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.2 t -69.85 151.0 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 108.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -109.2 30.24 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.53 151.93 0.24 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 48.29 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.431 1.753 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.469 ' HD3' ' CG ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER 171.22 167.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -67.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -124.55 130.58 52.72 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -160.82 147.35 13.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' HIS . 52.7 t -72.25 105.66 4.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.56 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.54 19.91 4.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -109.76 -30.81 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.7 p -110.9 -43.66 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.74 31.12 2.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -125.63 125.2 42.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 0.825 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.469 ' CG ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -82.16 167.55 18.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.6 9.06 65.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' CYS . 13.8 p-80 -171.0 -176.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.63 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.515 ' CD ' ' HB2' ' A' ' 47' ' ' LYS . 2.7 pt20 -135.04 170.52 15.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.403 ' SD ' ' HG3' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -50.38 -37.47 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HB2' ' CD ' ' A' ' 45' ' ' GLN . 2.4 mttt -57.08 -39.97 76.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -109.28 31.88 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.439 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 7.6 t -58.73 159.36 6.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 108.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 t -140.17 14.1 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.268 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 15.0 pttt -58.74 -40.76 84.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 3' ' ' LYS . . . -58.78 -24.95 58.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.33 -35.4 69.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.506 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 1.7 t80 -59.07 -23.34 61.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -60.69 -14.2 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -61.4 -14.26 26.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.416 HE22 HG11 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -55.52 -24.58 32.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.624 1.203 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -56.14 -24.97 44.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -124.42 34.08 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.1 m 83.21 156.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.741 HG22 ' H ' ' A' ' 14' ' ' LYS . 3.6 p -129.2 -176.65 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.741 ' H ' HG22 ' A' ' 13' ' ' VAL . 9.8 tttm -137.93 127.78 25.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 25' ' ' ALA . 33.3 t -80.22 117.43 21.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -83.6 14.34 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.606 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.5 t30 -114.8 -51.92 2.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -100.43 -34.42 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.277 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 109.48 -41.84 2.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.78 150.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -103.13 160.02 15.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 111.68 -31.22 7.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.695 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 4.4 p-80 -139.96 -176.72 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.586 HD11 ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -128.76 165.02 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.606 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -55.21 -52.57 62.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.586 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.98 -25.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.524 ' ND2' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -145.87 58.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.695 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 42.2 t -80.64 136.27 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.248 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ALA . 35.6 mtp180 -56.81 -30.83 64.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -38.94 141.04 0.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 -32.61 5.1 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 6.1 tmm_? 72.15 132.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 7.4 tttm -169.93 46.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' LYS . 13.3 mttt 59.03 112.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 44' ' ' HIS . . . -168.29 128.68 1.75 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.621 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 49.8 t -71.63 105.41 3.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.628 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.75 16.87 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -105.24 -33.37 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.469 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 28.7 p -109.01 -44.56 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 108.241 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.15 30.65 2.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -119.66 129.81 54.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 0.725 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.98 162.31 18.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.76 -24.52 31.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.621 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 4.6 p80 -136.39 -174.74 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.644 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.443 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 1.4 pt20 -134.47 172.01 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttm -54.79 -47.0 74.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.443 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 1.7 mmpt? -61.24 -12.91 14.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.09 23.79 7.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 12.2 t -65.98 154.44 39.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 108.295 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 p -99.19 -21.97 15.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 18.6 mt-30 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -46.21 91.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.98 -12.0 34.21 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 4.9 t30 -60.96 -15.33 30.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.615 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 6.1 t80 -59.17 -14.28 10.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -58.2 -14.97 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -60.25 -13.33 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HG2' ' CG1' ' A' ' 13' ' ' VAL . 4.9 tm0? -54.33 -28.7 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -54.54 -18.96 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 12' ' ' THR . 7.1 ttmt -136.18 44.27 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.552 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.0 m 85.68 142.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.667 HG21 ' CG2' ' A' ' 24' ' ' ILE . 7.7 p -127.53 169.3 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' N ' HG22 ' A' ' 13' ' ' VAL . 16.0 tttt -113.24 110.46 20.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 34.3 t -63.49 107.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 108.336 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 3.4 t80 -71.12 3.63 3.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.544 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 4.0 t30 -107.3 -80.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -66.61 -31.91 72.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 105.13 -38.69 3.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.589 1.18 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -50.7 156.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 12.3 pt-20 -101.99 164.66 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.79 -33.31 5.27 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.604 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.7 p-80 -145.19 -178.39 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 0.821 . . . . 0.0 109.602 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.667 ' CG2' HG21 ' A' ' 13' ' ' VAL . 37.2 pt -121.77 162.76 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.544 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -54.06 -40.59 67.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.473 ' HE2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -39.69 -28.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -150.11 58.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.604 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.3 t -75.88 136.98 40.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -31.69 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -45.46 152.66 0.64 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 48.12 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.768 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -86.38 -177.68 6.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.371 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER 90.48 -17.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.6 31.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -154.07 142.94 9.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.548 ' CB ' ' HG ' ' A' ' 39' ' ' CYS . 43.7 t -71.62 107.19 4.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.631 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.45 16.33 7.78 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 1.6 tttp -105.76 -33.23 8.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.548 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 29.9 p -112.48 -44.76 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 108.279 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.21 31.93 2.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 14.4 mttt -120.16 120.69 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 161.21 28.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.84 -2.09 56.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.578 1.174 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' CYS . 16.2 p-80 -161.95 -177.6 5.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 0.768 . . . . 0.0 109.603 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.482 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 3.0 pt20 -129.56 171.76 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 47' ' ' LYS . 1.9 ppp? -58.67 -32.5 69.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.482 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -64.03 -14.9 57.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -133.97 29.01 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 8.9 t -57.63 144.62 36.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t -118.98 13.45 13.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -57.64 -35.81 71.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.72 -15.04 32.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -58.03 -34.77 70.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' A' ' 24' ' ' ILE . 1.9 t80 -60.65 -13.72 16.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -61.75 -13.13 20.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -60.34 -15.23 23.67 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -56.26 -33.36 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -55.56 -23.05 24.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.94 42.51 3.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m 71.35 121.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.742 HG11 HG23 ' A' ' 24' ' ' ILE . 1.4 p -94.56 -175.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.644 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -135.27 117.47 15.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 30.5 t -74.76 112.17 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.81 3.36 33.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 1.5 t-20 -96.23 -56.3 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -91.84 -35.0 14.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 113.39 -36.98 3.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -48.59 175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.97 162.88 24.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 111.55 -30.44 7.85 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.069 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 11.3 p-80 -142.0 174.42 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.615 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.742 HG23 HG11 ' A' ' 13' ' ' VAL . 43.7 pt -117.0 164.86 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.44 -38.17 65.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' CD ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.9 -27.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.359 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.458 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -150.83 57.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 52.9 t -76.09 107.71 8.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 108.26 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -84.86 11.93 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.615 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -39.34 99.79 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.07 -2.09 12.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 170.93 176.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 88.86 -14.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -49.61 117.36 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -148.16 163.71 28.92 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' HIS . 36.3 t -76.62 116.04 16.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -87.85 35.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.125 . . . . 0.0 107.985 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.94 -43.35 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.3 p -101.82 -31.15 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.251 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.13 28.2 11.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.43 125.8 51.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.441 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -82.07 157.18 24.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.16 8.49 56.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.566 1.167 . . . . 0.0 111.027 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 49' ' ' CYS . 2.8 p80 -170.02 172.61 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.624 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 2.9 pt20 -128.59 169.18 14.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.0 ttp -53.64 -42.09 67.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.59 -24.51 14.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.377 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.91 44.03 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.581 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 6.1 t -69.69 158.29 35.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.344 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.8 p -115.61 -6.42 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.414 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -38.04 89.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 7' ' ' ARG . . . -55.69 -16.35 11.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -56.68 -40.56 75.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 3.5 t80 -59.82 -14.37 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 9.4 ttm180 -57.68 -16.98 12.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.56 -14.02 26.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.567 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 6.6 tt0 -56.35 -28.63 59.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -20.04 18.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -128.73 41.59 3.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.508 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.2 m 83.05 151.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 110.359 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.728 HG11 HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -133.92 -175.29 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' H ' HG22 ' A' ' 13' ' ' VAL . 4.6 ttpt -130.21 122.4 28.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 24.6 t -85.72 113.73 22.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 108.335 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.474 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -82.81 9.21 10.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.977 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.508 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 4.8 t30 -105.76 -57.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.1 p -91.86 -31.89 15.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 108.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 106.03 -36.14 4.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLY . 5.9 mptt -47.4 173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' OE1' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -121.88 161.48 22.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 112.52 -31.28 6.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.066 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.637 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.1 p-80 -142.12 -179.69 6.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.728 HG23 HG11 ' A' ' 13' ' ' VAL . 36.4 pt -124.87 162.73 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.528 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -52.73 -40.37 62.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HE3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -39.93 -28.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 109.253 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -151.17 58.37 0.9 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 45.0 t -74.06 145.2 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -94.06 21.29 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.86 109.28 1.55 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 50.72 2.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 21.7 mtt180 58.68 114.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.218 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 164.13 54.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -39.86 120.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.96 110.97 1.63 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' CB ' ' HG ' ' A' ' 39' ' ' CYS . 42.1 t -65.93 107.3 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -89.46 10.88 21.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.16 . . . . 0.0 108.007 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -37.07 10.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 26.6 p -107.49 -41.07 5.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 108.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.38 28.92 4.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -118.92 140.09 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -92.6 165.99 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.217 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.8 -8.73 76.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.964 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.513 ' CE1' ' HA ' ' A' ' 49' ' ' CYS . 3.3 p80 -153.1 -179.5 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.617 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.506 ' OE1' ' CG ' ' A' ' 47' ' ' LYS . 4.3 pt20 -134.31 172.9 12.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -54.8 -47.74 73.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.506 ' CG ' ' OE1' ' A' ' 45' ' ' GLN . 3.2 mmpt? -58.47 -17.23 19.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.35 28.87 6.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.513 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 7.1 t -64.46 157.99 25.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 108.26 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.4 p -116.93 -10.43 10.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.356 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -37.12 72.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.22 -18.32 41.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -57.84 -36.02 71.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.388 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.2 t80 -60.56 -13.52 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -13.21 19.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -61.12 -14.77 26.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' OE1' ' CE1' ' A' ' 6' ' ' PHE . 1.8 tt0 -55.71 -27.47 50.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -25.08 33.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -130.01 41.18 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.243 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.6 m 81.59 123.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.702 HG22 ' H ' ' A' ' 14' ' ' LYS . 2.7 p -90.4 -175.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.702 ' H ' HG22 ' A' ' 13' ' ' VAL . 11.0 ttpp -127.3 114.91 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 24.7 t -78.2 112.95 15.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -82.64 8.3 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.492 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 1.6 t-20 -104.5 -57.3 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.6 p -92.82 -33.52 14.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 108.237 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.7 -37.28 3.89 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.9 172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 0.726 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -120.89 161.05 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.487 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 113.23 -31.9 6.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.115 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 9.2 p-80 -142.63 174.62 10.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.56 HG23 HG11 ' A' ' 13' ' ' VAL . 6.2 pt -118.21 164.7 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.96 -38.92 65.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.504 ' HE3' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.2 -27.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.485 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -151.01 57.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 49.5 t -77.28 106.76 9.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.76 7.56 14.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.6 1.187 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -39.76 100.01 0.21 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 18.4 Cg_endo -75.06 -3.78 14.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.588 1.836 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 172.82 115.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 1.3 mttp 165.03 -30.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -38.5 116.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -153.22 151.03 22.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 41.9 t -68.74 106.97 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -89.94 13.68 14.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CD ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -101.1 -34.74 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 28.4 p -109.44 -42.16 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.318 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.35 28.47 3.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -120.06 119.43 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.474 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 6.6 pt-20 -77.89 159.33 28.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.13 -26.43 22.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 5.0 p80 -134.22 -175.84 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 0.785 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 2.5 pt20 -131.49 164.22 26.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.436 ' SD ' ' CD ' ' A' ' 38' ' ' LYS . 39.4 ttp -53.5 -50.42 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -54.69 -19.86 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -124.57 37.88 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 13.9 t -76.45 153.57 35.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.405 1.066 . . . . 0.0 108.295 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.8 p -90.89 -23.67 20.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.366 1.041 . . . . 0.0 110.4 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.294 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -59.44 -42.41 91.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.51 53.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -61.87 -35.99 79.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.772 ' HE1' HG21 ' A' ' 24' ' ' ILE . 24.9 t80 -59.27 -13.51 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -57.49 -15.16 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -59.89 -13.26 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.84 -31.92 60.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -18.4 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.5 tptt -129.5 43.16 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.574 HG22 ' HB2' ' A' ' 21' ' ' GLU . 24.8 m 74.7 152.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -125.55 -172.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.586 ' H ' HG22 ' A' ' 13' ' ' VAL . 9.2 ttpt -125.25 119.91 29.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.5 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 38.1 t -75.57 108.46 8.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 108.206 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 11.8 t80 -71.16 11.69 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.532 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 4.9 t30 -120.66 -82.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 17' ' ' ASN . 16.9 p -66.28 -24.56 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 108.27 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 95.79 -37.05 3.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 15' ' ' CYS . 6.5 mttt -45.5 149.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HB2' HG22 ' A' ' 12' ' ' THR . 5.4 pm0 -99.28 151.06 21.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.495 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 126.89 -30.63 4.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.656 ' N ' HG12 ' A' ' 13' ' ' VAL . 16.7 p-80 -148.77 175.68 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.616 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.772 HG21 ' HE1' ' A' ' 6' ' ' PHE . 38.6 pt -112.47 162.21 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -56.52 -38.67 72.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.26 -28.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -149.35 57.45 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.629 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 50.5 t -72.87 119.36 17.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 108.372 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.43 -27.25 69.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.533 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -38.74 99.43 0.19 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.99 49.22 2.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.769 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -60.82 177.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.32 47.5 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt 70.04 113.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.403 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -165.37 150.87 19.16 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.568 1.167 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 44.2 t -71.38 105.04 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.97 15.62 8.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.79 -33.57 8.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.7 p -110.16 -44.46 3.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 108.301 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.01 29.59 2.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -121.95 117.44 26.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -75.06 161.42 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.7 -27.05 19.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.8 p-80 -134.61 -173.73 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.598 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.465 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.8 pt20 -133.31 168.74 18.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.2 ttp -53.17 -41.7 65.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -54.13 -28.08 37.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.37 31.4 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 18.8 t -50.89 151.8 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.382 1.051 . . . . 0.0 108.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -110.73 -20.12 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.246 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -30.32 70.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.9 -24.2 53.32 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.521 1.138 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -57.53 -37.33 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.636 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 1.9 t80 -60.12 -14.55 17.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -58.47 -16.14 13.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -61.22 -14.67 27.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -56.81 -31.18 64.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -57.68 -19.31 25.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -126.81 39.74 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.605 1.19 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.4 m 81.95 149.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.768 HG21 ' CG2' ' A' ' 24' ' ' ILE . 10.8 p -135.4 172.29 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.558 ' H ' HG22 ' A' ' 13' ' ' VAL . 8.4 ttmt -122.2 129.08 51.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.7 t -88.82 111.42 22.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.04 13.58 5.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 1.8 t-20 -108.21 -55.63 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -99.67 -24.77 14.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 108.343 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.28 -42.14 1.97 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.77 161.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 0.721 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -113.9 174.72 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.61 -22.24 41.92 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.599 1.187 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 12.2 p-80 -149.44 173.59 13.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.509 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.768 ' CG2' HG21 ' A' ' 13' ' ' VAL . 39.4 pt -116.41 161.96 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.416 1.073 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.55 -38.89 64.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.489 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -40.51 -28.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.375 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.489 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -150.52 57.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.62 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.2 t -74.35 148.73 41.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 0.0 108.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.67 36.36 4.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.42 153.06 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.92 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 160.59 14.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -39.18 77.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.78 125.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -114.54 108.24 1.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.417 ' CB ' ' HG ' ' A' ' 39' ' ' CYS . 48.8 t -61.42 108.32 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -90.29 12.59 17.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.612 1.195 . . . . 0.0 107.959 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.96 -39.5 8.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.417 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 25.6 p -106.23 -36.95 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 108.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.14 26.96 6.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.75 139.04 49.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 157.88 16.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.19 -23.37 35.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 49' ' ' CYS . 2.8 p80 -137.2 -177.4 4.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 109.628 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 2.9 pt20 -137.91 169.45 17.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -53.26 -40.87 64.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.98 -29.73 57.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -124.63 39.33 4.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 8.7 t -62.91 157.96 20.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.317 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.6 t -137.15 16.81 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.347 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -57.27 -33.36 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' A' ' 3' ' ' LYS . . . -59.51 -20.29 50.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -58.33 -35.18 71.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 t80 -60.08 -13.95 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -58.78 -15.57 12.82 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.43 -16.76 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.11 -29.87 61.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -25.13 52.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' THR . 8.4 pttt -127.57 39.26 3.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 4.0 m 77.39 122.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.45 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.896 HG11 HG23 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -94.33 -174.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' H ' HG22 ' A' ' 13' ' ' VAL . 22.0 tttm -131.42 118.77 20.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 t -81.37 113.13 19.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.66 9.36 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -105.78 -56.49 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -92.91 -30.62 15.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 108.335 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.19 -36.9 4.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.19 172.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.28 166.33 15.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.98 -27.18 18.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 7.8 p-80 -145.96 163.88 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.896 HG23 HG11 ' A' ' 13' ' ' VAL . 41.3 pt -108.35 161.24 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.539 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.18 -36.2 60.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -41.61 -28.66 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.559 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -150.06 56.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.64 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 47.5 t -72.14 149.01 45.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' HG2' ' CE1' ' A' ' 23' ' ' HIS . 13.2 ptt-85 -114.79 33.09 5.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -38.78 154.04 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.6 8.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.486 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 2.4 mtt180 70.9 120.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 32' ' ' ARG . 1.3 tptm 175.28 72.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' LYS . 1.1 mttm -38.21 114.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.516 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -166.25 163.94 37.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.616 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 49.9 t -73.41 108.38 6.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.51 18.38 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 107.944 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -110.72 -34.01 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.484 ' HG ' ' HG ' ' A' ' 36' ' ' CYS . 29.4 p -115.82 -41.24 3.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 108.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.89 -40.38 1.75 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 118.93 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.1 pm0 -82.69 175.15 10.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.38 -14.2 55.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.036 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.616 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 2.6 p80 -138.59 -179.71 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.545 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.427 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.9 pt20 -132.79 166.43 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.464 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 28.4 ttp -53.44 -49.55 67.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -55.68 -18.14 7.33 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 0.0 109.212 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.36 35.11 4.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.47 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 14.9 t -73.39 147.49 44.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 t -128.18 22.53 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -40.49 83.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.81 -25.29 58.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.612 1.195 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.87 -35.35 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 0.717 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.588 ' CE1' HD13 ' A' ' 24' ' ' ILE . 11.7 t80 -60.04 -13.84 13.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -59.42 -14.94 14.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -61.24 -14.07 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.538 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 2.3 tt0 -56.21 -29.35 60.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -20.66 20.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 12' ' ' THR . 14.9 mttt -128.19 41.53 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.1 m 83.55 150.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.439 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.715 HG22 ' H ' ' A' ' 14' ' ' LYS . 2.8 p -125.77 -175.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.715 ' H ' HG22 ' A' ' 13' ' ' VAL . 7.0 ttpt -130.34 122.12 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 t -89.44 112.97 24.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 1.1 p90 -82.72 7.05 16.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 2.2 t-20 -102.9 -58.17 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -91.45 -32.7 15.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 108.267 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.25 -36.63 4.27 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.69 175.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 0.727 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.3 159.84 30.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.707 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 114.35 -32.31 5.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.609 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 12.2 p-80 -140.05 170.41 15.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 0.786 . . . . 0.0 109.641 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.845 HD11 ' HD2' ' A' ' 26' ' ' LYS . 20.7 pt -113.12 162.22 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.372 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.55 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.6 -36.1 64.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.845 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.96 -28.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.519 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -150.11 56.8 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.609 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 47.4 t -73.13 147.72 44.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 108.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -125.16 36.49 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.29 133.78 94.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.22 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 50.42 2.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.35 146.42 47.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 0.0 110.31 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -93.06 -74.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -151.13 115.78 5.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -159.05 152.89 24.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' HIS . 42.1 t -71.75 104.84 3.53 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.36 15.74 8.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 107.989 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -104.17 -33.44 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 30.4 p -110.45 -44.4 3.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.93 29.86 2.48 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.8 117.25 25.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 13.9 pt-20 -74.57 164.88 26.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.64 -24.34 31.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.568 1.168 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.2 p-80 -137.51 -174.31 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.448 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.8 pt20 -132.94 168.82 17.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -53.73 -43.02 68.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.62 -24.86 23.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -126.02 32.81 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.391 1.057 . . . . 0.0 109.337 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.486 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 18.1 t -56.28 151.39 12.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.247 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 p -127.18 24.65 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.456 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 4.0 ptmm? -59.82 -43.32 94.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.54 -20.05 44.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -62.73 -37.53 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.76 ' CE1' HD13 ' A' ' 24' ' ' ILE . 3.9 t80 -60.23 -14.3 17.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 7.7 mmt85 -59.35 -15.22 15.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -59.55 -16.17 23.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 1.8 tt0 -56.68 -29.49 62.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -25.11 47.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -128.09 39.89 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 3.9 m 77.63 123.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.713 HG11 HG23 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -93.75 -175.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.564 ' H ' HG22 ' A' ' 13' ' ' VAL . 1.8 ttpm? -136.74 120.39 17.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 t -78.07 111.81 14.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 108.322 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -83.58 8.16 15.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 6.6 t30 -102.74 -56.45 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -92.3 -32.47 15.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.338 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 109.75 -37.2 3.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -46.58 171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -122.61 160.62 25.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.494 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 112.74 -31.23 6.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 15.3 p-80 -140.72 174.34 10.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.62 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.76 HD13 ' CE1' ' A' ' 6' ' ' PHE . 36.6 pt -117.59 162.61 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.02 -37.78 64.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.61 -28.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.526 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -150.77 57.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.9 t -72.54 131.82 43.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.328 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' PRO . 1.9 ttt180 -65.66 -34.29 77.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -39.07 99.7 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.5 Cg_endo -74.91 49.02 2.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -75.04 117.94 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 5.2 ptpt -66.49 -53.87 30.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 4.2 mttt -173.21 115.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -160.62 151.32 21.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.618 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 43.8 t -77.2 107.27 9.46 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.32 14.31 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.014 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -102.07 -36.88 8.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.4 1.062 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.466 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 27.3 p -109.08 -42.25 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 108.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.4 28.47 3.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 116.68 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.7 155.88 38.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.0 -30.0 8.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.618 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 7.1 p80 -131.17 -176.33 3.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 109.567 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.434 ' NE2' ' CB ' ' A' ' 47' ' ' LYS . 1.3 pt20 -132.47 169.13 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ttt -53.35 -51.11 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' CB ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -55.53 -18.1 6.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -125.61 37.38 4.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.9 t -80.51 148.8 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -139.75 29.56 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -58.08 -27.5 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.46 -16.98 38.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -57.75 -35.32 70.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 109.371 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.701 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -59.16 -14.25 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -17.64 9.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.83 -14.79 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.89 -31.79 63.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -58.31 -24.97 61.28 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 12' ' ' THR . 2.1 mmtp -119.72 26.02 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 22' ' ' GLY . 1.7 m 83.66 126.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 23' ' ' HIS . 1.1 p -89.27 -172.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.634 ' H ' HG22 ' A' ' 13' ' ' VAL . 11.5 tttm -129.79 110.41 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 35.3 t -74.99 113.17 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 61.3 t80 -80.99 16.5 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.556 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 3.9 t30 -115.8 -66.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -82.99 -16.99 45.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 108.328 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 76.84 20.0 76.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -171.7 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' OE1' HG21 ' A' ' 12' ' ' THR . 11.3 pt-20 -133.59 150.25 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.581 ' N ' HG22 ' A' ' 12' ' ' THR . . . 111.02 -31.46 7.23 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.651 ' N ' HG12 ' A' ' 13' ' ' VAL . 16.1 p-80 -140.38 167.32 22.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 0.714 . . . . 0.0 109.556 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.701 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 7.0 pt -115.88 156.46 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.556 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -53.29 -37.0 61.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.66 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.43 -28.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.603 1.189 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.541 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -149.83 56.56 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.617 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.6 t -69.8 154.63 41.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 108.286 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.54 21.39 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.1 116.53 55.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 50.84 2.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.428 1.752 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -106.84 135.55 48.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.16 -72.66 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -150.78 114.68 5.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.13 154.0 24.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.63 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 42.3 t -73.19 105.34 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.98 15.92 7.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 108.032 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -34.53 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.487 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 29.6 p -110.16 -44.38 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.86 29.57 2.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.155 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.88 115.0 22.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -73.15 159.98 32.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.19 -27.33 17.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.632 ' CE1' ' HA ' ' A' ' 49' ' ' CYS . 6.1 p80 -134.31 -174.65 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.75 . . . . 0.0 109.569 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.7 pt20 -132.71 168.26 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.42 1.075 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 ttp -53.35 -43.36 67.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.449 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.73 -25.38 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.22 34.61 4.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.632 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 19.0 t -58.25 151.31 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 108.287 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.6 p -88.2 -26.09 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.474 0.178 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.74 153.07 29.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.73 -36.48 81.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.84 -19.63 44.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -57.82 -36.6 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.752 ' CE1' HD13 ' A' ' 24' ' ' ILE . 7.7 t80 -60.44 -13.41 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.078 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.15 -13.07 15.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -59.26 -15.61 16.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.479 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 1.3 tm0? -55.86 -27.45 51.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -23.04 26.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 12' ' ' THR . 4.8 mmtt -131.67 41.32 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.4 m 82.59 123.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.931 HG11 HG23 ' A' ' 24' ' ' ILE . 2.8 p -97.35 -175.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.718 ' H ' HG22 ' A' ' 13' ' ' VAL . 3.6 tttt -125.78 108.57 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 31.3 t -70.4 115.34 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.36 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -82.72 14.86 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 111.072 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.562 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.5 t30 -114.5 -58.29 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -92.51 -29.02 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 100.8 -33.33 6.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.412 1.07 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -46.48 171.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HG3' ' CG2' ' A' ' 12' ' ' THR . 12.2 pt-20 -120.34 159.43 25.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.02 -30.78 7.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.566 1.167 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 15.9 p-80 -141.87 174.74 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.583 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.931 HG23 HG11 ' A' ' 13' ' ' VAL . 31.8 pt -122.12 159.18 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -52.43 -39.57 61.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.665 ' HD3' HD11 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -40.33 -28.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.584 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.2 OUTLIER -151.41 57.77 0.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.645 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.8 t -72.27 146.09 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -91.97 18.22 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB1' ' HD3' ' A' ' 32' ' ' ARG . . . -68.26 113.16 13.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 51.03 2.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HD3' ' HB1' ' A' ' 30' ' ' ALA . 10.1 ptt-85 -108.07 152.33 24.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -96.14 -58.66 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -167.49 117.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -158.99 155.79 26.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' HIS . 47.0 t -74.06 107.72 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.38 11.99 15.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.017 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -39.04 8.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 p -108.4 -43.3 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 108.257 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.28 27.34 3.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.576 1.173 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.49 114.07 25.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -71.27 155.89 40.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.48 -30.09 8.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' CYS . 26.2 p-80 -132.16 -176.15 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 0.698 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.7 pt20 -129.83 170.2 14.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.407 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 12.0 tmm? -54.65 -48.1 72.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 0.0 111.037 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -59.23 -15.85 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -123.67 29.04 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 19.4 t -72.87 150.38 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.307 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.0 p -88.34 -26.19 22.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.403 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.84 56.56 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HE ' ' NE2' ' A' ' 53' ' ' GLN . 6.3 ttp180 -96.94 79.4 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' NE2' ' HE ' ' A' ' 52' ' ' ARG . 13.9 pm0 38.33 49.13 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.05 119.4 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -94.41 -156.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.62 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.62 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.24 -17.776 3 C1'-O4'-C4' 116.24 7.378 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.565 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.343 -9.192 1 O4'-C4'-C3' 95.087 -7.438 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.551 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.321 -11.032 3 C5'-C4'-O4' 125.344 11.531 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.551 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.152 2 C5'-C4'-O4' 134.726 18.233 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.524 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.24 -17.721 2 C5'-C4'-O4' 125.875 11.911 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.524 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.408 3 C5'-C4'-O4' 128.74 13.957 . 0.404 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.656 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.094 -29.915 2 C1'-O4'-C4' 123.193 15.103 . 0.017 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.496 " H3'" " H4'" ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.179 3 C5'-C4'-O4' 149.245 28.604 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.433 ' OP1' " C4'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.293 -13.31 2 C5'-C4'-O4' 127.932 13.38 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.599 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.073 -31.665 1 C1'-O4'-C4' 123.241 15.156 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.656 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.934 3 C5'-C4'-O4' 139.63 21.736 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.534 " H4'" " O2'" ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.164 -24.053 2 C5'-C4'-O4' 128.387 13.705 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.472 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.129 -27.04 2 C5'-C4'-O4' 135.136 18.526 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.671 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.402 -4.237 1 C1'-O4'-C4' 114.354 5.283 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.671 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.096 -29.753 2 C5'-C4'-O4' 136.275 19.34 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.577 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.145 -25.687 2 C5'-C4'-O4' 130.973 15.552 . 0.346 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.577 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.281 -14.315 3 C1'-O4'-C4' 119.326 10.806 . 0.347 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.537 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.385 -5.642 2 C1'-O4'-C4' 117.038 8.265 . 0.528 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.434 0.159 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -80.07 171.43 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.251 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.67 93.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.94 -20.99 51.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.11 -36.42 72.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 0.741 . . . . 0.0 109.271 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.734 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 1.9 t80 -59.85 -13.88 12.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 62.3 mtt180 -58.43 -15.65 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -56.8 -18.15 11.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.592 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 1.2 tt0 -55.47 -26.7 43.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -56.18 -27.59 55.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -127.64 36.78 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 3.4 m 79.4 123.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 0.0 110.468 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 14' ' ' LYS . 3.5 p -92.22 -176.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.737 ' H ' HG22 ' A' ' 13' ' ' VAL . 9.3 tttt -135.46 130.19 34.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -85.33 111.35 19.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -87.45 14.73 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.547 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 6.8 t30 -110.63 -48.59 3.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.02 -26.41 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.244 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 107.9 -47.46 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -38.29 141.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' CG ' ' HA ' ' A' ' 14' ' ' LYS . 3.1 mt-10 -103.12 158.13 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.434 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 115.59 -31.58 6.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 21.7 p-80 -135.04 179.28 6.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.568 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.734 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 26.5 pt -117.04 155.41 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.547 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -51.67 -37.43 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HE3' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -39.45 -30.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.458 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -148.8 57.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.64 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.4 t -70.25 149.44 47.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.189 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -57.43 -16.83 10.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -39.67 100.34 0.21 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.94 49.7 2.31 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.555 1.819 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' NH2' H5'' ' B' ' 206' ' ' ' C' . 0.0 OUTLIER 73.37 122.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 170.6 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.505 ' CG ' ' O4 ' ' B' ' 210' ' ' ' U' . 0.2 OUTLIER 62.36 126.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.347 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.35 113.09 1.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.447 ' HA ' ' O6 ' ' B' ' 209' ' ' ' G' . 43.7 t -67.6 108.03 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.803 ' CZ2' ' C5 ' ' B' ' 209' ' ' ' G' . 0.5 OUTLIER -91.78 20.82 5.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CB ' ' HB2' ' A' ' 46' ' ' MET . 3.2 tptt -109.25 -34.65 6.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.0 p -109.61 -33.55 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 108.298 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.06 27.85 8.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.0 137.94 53.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 0.756 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -91.93 164.67 13.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.95 13.06 67.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 5.8 p-80 -173.52 175.02 3.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 0.808 . . . . 0.0 109.627 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.556 ' HB2' ' C5 ' ' B' ' 209' ' ' ' G' . 1.6 pt20 -131.08 167.24 19.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.457 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 14.4 tmm? -53.38 -49.88 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.466 ' CD ' " H5'" ' B' ' 209' ' ' ' G' . 0.4 OUTLIER -53.71 -21.9 8.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -125.01 37.91 4.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.497 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.0 t -70.91 163.83 26.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.8 p -117.0 -6.81 11.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -59.18 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.18 161.02 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.16 148.61 28.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.14 149.44 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -171.38 148.42 2.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.793 ' HB ' " H5'" ' B' ' 201' ' ' CG1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.548 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.365 -7.305 2 O4'-C4'-C3' 93.886 -8.296 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.585 " H2'" ' C8 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.399 -4.512 1 O4'-C4'-C3' 92.975 -8.946 . 0.205 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.646 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.087 -30.519 2 C1'-O4'-C4' 123.335 15.261 . 0.09 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.646 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.358 -7.877 2 O4'-C4'-C3' 94.037 -8.188 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.503 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.391 -5.185 2 C1'-O4'-C4' 117.448 8.72 . 0.12 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.54 ' C4 ' ' C6 ' ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.4 -4.376 2 O4'-C4'-C3' 93.326 -8.696 . 0.328 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.653 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.079 -31.178 2 C1'-O4'-C4' 123.097 14.997 . 0.113 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.803 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.418 -2.918 3 C5'-C4'-O4' 151.185 29.989 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.618 ' C6 ' " O2'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.288 -13.74 3 C5'-C4'-O4' 146.016 26.297 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.624 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.09 -30.225 2 C5'-C4'-O4' 130.818 15.441 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.653 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.872 2 C5'-C4'-O4' 140.303 22.217 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.553 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.245 -17.321 3 C5'-C4'-O4' 126.298 12.213 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.553 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.073 -31.707 2 C1'-O4'-C4' 123.472 15.413 . 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.465 " H1'" ' CB ' ' A' ' 23' ' ' HIS . . . . . . . . 1 O4'--C4' 1.404 -4.088 1 C5'-C4'-O4' 125.055 11.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.535 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.154 -24.952 2 C5'-C4'-O4' 140.847 22.605 . 0.287 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.579 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.164 -24.085 2 C5'-C4'-O4' 128.499 13.785 . 0.072 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.579 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.392 -5.083 3 C1'-O4'-C4' 117.477 8.752 . 0.326 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.536 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.388 -5.409 3 C1'-O4'-C4' 117.958 9.287 . 0.016 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.476 0.179 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER 67.71 59.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -61.37 -43.66 98.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.36 -13.13 35.27 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 14.4 t-20 -57.58 -24.62 57.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.585 ' CE1' HD13 ' A' ' 24' ' ' ILE . 10.5 t80 -58.8 -14.3 8.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -55.91 -17.34 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -60.38 -12.97 10.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -55.02 -31.36 61.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -55.53 -18.02 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -130.28 43.76 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 11' ' ' LYS . 24.7 m 74.55 149.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.722 HG22 ' H ' ' A' ' 14' ' ' LYS . 3.5 p -133.95 -176.55 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.722 ' H ' HG22 ' A' ' 13' ' ' VAL . 6.9 tttt -120.76 122.17 39.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.526 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 35.3 t -70.97 109.62 5.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.391 1.057 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 2.5 t80 -69.61 6.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.538 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 t30 -116.41 -82.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 17.5 p -63.46 -27.36 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 96.86 -36.21 4.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.58 148.3 3.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 2.1 pm0 -93.93 165.04 12.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.26 -33.27 5.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 25.2 p-80 -147.64 -177.32 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 109.6 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.837 HD11 ' HD2' ' A' ' 26' ' ' LYS . 22.9 pt -120.47 158.67 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.58 ' HB1' ' C4 ' ' B' ' 210' ' ' ' U' . . . -54.41 -37.09 64.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.837 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.21 -28.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.579 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.5 OUTLIER -150.31 56.85 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.364 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.611 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.9 t -71.94 149.68 44.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.1 34.82 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.4 143.45 0.83 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 49.22 2.2 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.92 144.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -72.25 -59.94 2.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -129.8 116.94 19.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.14 148.18 19.31 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.587 1.179 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 42.8 t -75.71 105.94 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.564 ' CE3' ' C5 ' ' B' ' 209' ' ' ' G' . 0.0 OUTLIER -88.13 13.0 12.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -100.63 -36.01 9.3 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.4 p -110.83 -44.89 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.75 29.8 2.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.27 122.05 41.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -76.4 158.74 31.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.247 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.96 -27.45 16.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 25.7 p-80 -135.07 -177.23 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 0.78 . . . . 0.0 109.654 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 2.0 pt20 -128.6 173.08 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.462 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 9.3 tmm? -54.37 -51.16 65.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.067 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 2.1 mtpp -62.24 -11.77 16.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.11 23.14 11.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.2 t -71.94 156.68 38.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 108.285 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 t -145.28 21.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.87 -35.61 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 103.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.79 59.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -101.49 -61.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 55.89 -139.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.37 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.471 " H2'" " O4'" ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.536 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.353 -8.303 3 C5'-C4'-O4' 128.275 13.625 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.536 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.263 -15.812 2 C1'-O4'-C4' 114.588 5.542 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.667 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.081 -31.029 2 C1'-O4'-C4' 123.39 15.322 . 0.579 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.667 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.21 -20.243 2 C5'-C4'-O4' 126.637 12.455 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.553 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.206 -20.57 2 C5'-C4'-O4' 137.517 20.226 . 0.01 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.553 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.071 3 C5'-C4'-O4' 142.917 24.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.65 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.159 -24.48 2 C5'-C4'-O4' 138.199 20.714 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.564 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.414 -3.209 3 C5'-C4'-O4' 146.79 26.85 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.58 ' C4 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.212 2 C5'-C4'-O4' 97.382 -8.441 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.6 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.111 -28.461 1 C1'-O4'-C4' 122.021 13.801 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.65 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.671 3 C5'-C4'-O4' 137.461 20.186 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.495 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.179 -22.822 2 C5'-C4'-O4' 127.788 13.277 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.495 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.104 -29.12 2 C5'-C4'-O4' 131.534 15.953 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.797 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.122 1 C5'-C4'-O4' 118.507 6.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.797 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.134 -26.585 2 C5'-C4'-O4' 135.909 19.078 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.768 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.165 -24.001 2 C1'-O4'-C4' 121.888 13.653 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.768 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.389 -5.369 3 C1'-O4'-C4' 117.77 9.078 . 0.066 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.523 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.392 -5.057 2 C1'-O4'-C4' 117.502 8.78 . 0.041 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tpp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.487 0.184 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 4.9 mt-30 -60.77 142.08 56.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 53.5 pttt -60.79 -45.32 94.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 3' ' ' LYS . . . -60.4 -13.53 30.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 19.4 t-20 -56.61 -19.29 15.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.915 ' CE1' HD13 ' A' ' 24' ' ' ILE . 5.6 t80 -60.22 -14.84 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -11.77 16.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -60.84 -14.32 21.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' OE1' ' CE1' ' A' ' 6' ' ' PHE . 7.3 tt0 -55.22 -26.18 37.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -54.34 -24.59 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -131.96 42.84 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.3 m 83.82 123.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.457 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 14' ' ' LYS . 1.3 p -98.77 -174.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.635 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -135.17 127.9 31.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 39.0 t -90.25 116.09 27.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 1.138 . . . . 0.0 108.253 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.8 p90 -85.59 18.71 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.493 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 7.1 t30 -116.02 -54.07 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.6 p -94.3 -26.72 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.26 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.0 34.34 18.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -122.61 145.63 48.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.384 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 3.7 pt-20 -88.63 157.79 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.196 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.95 -32.64 5.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.633 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 17.0 p-80 -147.47 173.95 12.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.764 . . . . 0.0 109.572 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.915 HD13 ' CE1' ' A' ' 6' ' ' PHE . 13.3 pt -119.35 159.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.583 ' HB1' ' C5 ' ' B' ' 210' ' ' ' U' . . . -53.22 -38.39 62.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.719 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.73 -28.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.592 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.4 OUTLIER -151.03 57.58 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.633 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.9 t -72.31 143.57 48.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.296 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 28.75 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.83 112.83 10.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 50.83 2.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.481 1.78 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.42 -179.77 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.15 48.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.8 mttp 70.04 113.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.64 152.26 21.83 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.48 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 43.5 t -71.0 105.99 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.77 14.72 9.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -102.83 -34.19 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 29.0 p -110.74 -44.85 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 108.298 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.0 29.72 2.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -120.08 116.1 25.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 8.7 pm0 -73.21 157.57 36.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.02 -30.25 8.52 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.433 1.083 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.506 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 25.8 p-80 -131.96 -174.28 3.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 0.781 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.9 pt20 -131.44 168.95 16.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.413 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 12.2 tmm? -53.53 -41.25 66.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 2.7 tppt? -53.99 -28.48 38.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.28 30.23 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.506 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 22.7 t -48.44 141.86 6.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' GLU . 15.1 t -128.23 2.9 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.41 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.6 OUTLIER 37.79 69.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' CB ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -81.24 99.9 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 61.76 141.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.77 167.5 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.961 ' OD1' ' N ' ' A' ' 56' ' ' NH2 . 8.9 p30 -137.72 -110.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . 0.961 ' N ' ' OD1' ' A' ' 55' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.649 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.649 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.396 -4.762 3 C5'-C4'-O4' 127.831 13.308 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.492 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.174 -23.291 1 C1'-O4'-C4' 120.541 12.157 . 0.049 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.558 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.169 -23.654 1 C1'-O4'-C4' 121.848 13.608 . 0.191 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.558 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.265 -15.691 3 C1'-O4'-C4' 116.519 7.688 . 0.317 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.553 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.217 -19.702 1 C1'-O4'-C4' 119.655 11.172 . 0.026 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.553 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.167 -23.798 2 C1'-O4'-C4' 120.473 12.081 . 0.251 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.632 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.079 -31.144 1 C1'-O4'-C4' 123.176 15.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.507 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.403 -4.165 3 C5'-C4'-O4' 151.456 30.183 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.583 ' C5 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.221 2 C5'-C4'-O4' 100.125 -6.482 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.603 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.076 -31.396 1 C1'-O4'-C4' 123.291 15.212 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.632 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.877 2 C5'-C4'-O4' 129.194 14.281 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.511 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.105 -28.977 2 C1'-O4'-C4' 122.475 14.306 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.511 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.099 -29.541 2 C1'-O4'-C4' 123.016 14.907 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.789 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.187 2 C1'-O4'-C4' 114.84 5.822 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5n wannabe' 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.789 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.083 -30.839 2 C5'-C4'-O4' 129.793 14.709 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.567 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.155 -24.856 2 C5'-C4'-O4' 131.008 15.577 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.567 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.228 -18.746 2 C5'-C4'-O4' 131.557 15.969 . 0.082 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.547 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.387 -5.511 2 C1'-O4'-C4' 117.076 8.307 . 0.334 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.489 0.185 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -129.79 109.08 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -58.65 -40.51 83.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.57 -25.38 58.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.499 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 9.9 t-20 -57.3 -35.77 70.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 0.719 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.502 ' CE2' HD13 ' A' ' 24' ' ' ILE . 5.0 t80 -58.22 -24.5 59.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -12.55 16.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 5' ' ' ASN . 14.0 p30 -58.76 -16.44 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.68 -33.24 66.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -19.12 14.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -130.09 41.97 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.0 m 84.59 141.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.379 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.614 HG21 ' CG2' ' A' ' 24' ' ' ILE . 7.3 p -124.08 169.29 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.555 ' N ' HG22 ' A' ' 13' ' ' VAL . 5.6 tttt -116.3 125.01 51.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 29.6 t -87.67 115.08 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.247 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.7 p90 -82.75 14.26 3.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' OD1' ' O4 ' ' B' ' 210' ' ' ' U' . 4.6 t30 -113.69 -57.15 2.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -93.65 -30.86 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 108.327 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 103.76 -36.73 4.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -48.35 175.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 109.303 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 12.3 pt-20 -124.98 162.07 25.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 114.96 -32.73 5.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.606 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 21.9 p-80 -139.64 -177.52 4.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.859 HD11 ' HD2' ' A' ' 26' ' ' LYS . 22.6 pt -122.87 158.23 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.563 ' HB1' ' C6 ' ' B' ' 210' ' ' ' U' . . . -52.46 -35.99 53.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.859 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.14 -31.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.598 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.3 OUTLIER -148.31 56.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 41.8 t -71.2 147.45 48.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.323 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 ptt85 -111.72 30.55 6.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.9 140.95 1.38 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 49.48 2.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -164.21 153.72 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -87.01 -70.46 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -133.79 116.8 16.14 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.451 1.095 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -156.59 159.17 29.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.465 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 47.7 t -76.44 106.72 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.36 14.04 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 107.97 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.15 -36.19 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -110.36 -43.38 3.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.588 1.18 . . . . 0.0 108.294 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.56 28.72 3.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 112.79 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.473 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 7.2 pt-20 -70.41 155.93 40.03 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.614 1.196 . . . . 0.0 110.227 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.94 -29.66 9.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 26.8 p-80 -131.82 -176.57 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.75 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.7 pt20 -131.45 167.66 18.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.8 ttp -53.34 -51.42 62.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -55.13 -18.37 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -125.31 38.58 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 36.2 t -82.64 149.21 27.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.1 p -81.09 -31.1 34.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.374 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -72.09 -59.33 2.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 106.15 5.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.08 162.07 13.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.37 163.08 30.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.229 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 53.87 -170.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.635 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.635 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.108 -28.715 2 C1'-O4'-C4' 122.379 14.199 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.551 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.33 -10.246 1 O4'-C4'-C3' 95.585 -7.082 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.563 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.173 -23.371 2 C5'-C4'-O4' 133.089 17.063 . 0.071 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.563 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.223 -19.165 2 C5'-C4'-O4' 124.749 11.107 . 0.166 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.537 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.271 -15.173 2 C1'-O4'-C4' 119.363 10.848 . 0.107 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.537 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.226 -18.952 2 C1'-O4'-C4' 117.847 9.163 . 0.389 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.497 ' OP1' " H2'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.079 -31.126 1 C1'-O4'-C4' 123.059 14.954 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.497 " H2'" ' OP1' ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.331 -10.177 2 C5'-C4'-O4' 133.442 17.316 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.563 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.282 1 C1'-O4'-C4' 116.898 8.109 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.606 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.119 -27.825 2 C1'-O4'-C4' 121.757 13.508 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.576 ' P ' " O2'" ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.38 2 C5'-C4'-O4' 135.584 18.846 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.572 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.097 -29.682 2 C5'-C4'-O4' 131.447 15.89 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.537 ' C4 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.305 -12.322 3 C5'-C4'-O4' 148.374 27.981 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.783 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.098 1 C5'-C4'-O4' 129.242 14.316 . 0.0 OUTLIER '7D dist 5n wannabe' 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.783 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.153 -25.006 2 C5'-C4'-O4' 140.071 22.05 . 0.326 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.586 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.161 -24.364 2 C5'-C4'-O4' 132.044 16.317 . 0.185 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.586 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.292 -13.453 3 C5'-C4'-O4' 128.853 14.038 . 0.127 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.559 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.384 -5.79 2 C1'-O4'-C4' 117.243 8.492 . 0.225 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mtp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.466 0.174 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 72.83 161.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -59.21 -30.64 68.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.9 -27.33 61.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -58.18 -24.87 60.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.776 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 66.1 t80 -60.42 -15.69 28.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -58.93 -15.9 15.14 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -58.19 -17.83 21.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.491 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 20.3 tt0 -57.67 -31.66 66.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.577 1.173 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.65 -25.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.417 1.073 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -111.54 -22.77 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.382 1.051 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.57 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 161.6 140.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.431 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.592 HG12 ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -121.48 172.85 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.083 . . . . 0.0 109.237 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.84 123.67 45.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 37.5 t -82.21 111.17 18.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.403 ' HB2' ' C6 ' ' B' ' 211' ' ' ' G' . 0.7 OUTLIER -71.47 9.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 7.5 t30 -118.87 -81.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 21.0 p -63.37 -24.29 67.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 89.23 -30.01 5.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -49.16 177.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.5 pt-20 -122.28 161.18 23.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.244 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.07 -32.64 6.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 18.0 p-80 -145.07 174.6 10.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.604 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.776 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 8.0 pt -117.03 154.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.584 ' HB1' ' C6 ' ' B' ' 210' ' ' ' U' . . . -52.36 -36.42 53.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.606 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.85 -27.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.582 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.5 OUTLIER -150.52 56.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.272 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.61 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 44.1 t -71.93 146.06 48.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -93.28 19.05 8.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.364 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.16 114.31 36.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 50.72 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -83.24 176.31 9.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -140.48 48.93 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' CE ' ' OP1' ' B' ' 207' ' ' ' U' . 2.8 mtmt 70.46 115.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.93 149.72 16.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.483 ' HA ' ' O6 ' ' B' ' 209' ' ' ' G' . 42.4 t -70.3 104.29 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.09 16.69 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -105.52 -32.56 8.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.9 p -110.41 -44.47 3.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 108.241 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.07 30.12 2.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 111.062 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.46 117.97 26.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 12.3 pt-20 -75.87 166.56 23.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.48 -22.93 38.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.137 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 36' ' ' CYS . 20.6 p-80 -138.84 -173.38 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 0.813 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.5 pt20 -133.94 167.07 21.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.418 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 7.6 tmm? -53.16 -42.81 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.86 -24.99 17.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -126.37 34.16 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.452 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 15.0 t -58.04 153.13 15.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.291 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.9 p -125.57 22.11 7.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.08 61.33 1.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -116.49 -56.49 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -90.07 126.16 35.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.7 92.01 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -163.19 -115.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.526 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.532 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.389 -5.32 3 C5'-C4'-O4' 125.779 11.842 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.532 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.322 -10.928 2 O4'-C4'-C3' 95.905 -6.854 . 0.026 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.494 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.139 -26.162 2 C5'-C4'-O4' 130.784 15.417 . 0.128 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.494 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.213 -20.029 2 C5'-C4'-O4' 129.059 14.185 . 0.141 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.5 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.311 -11.864 2 C1'-O4'-C4' 118.676 10.085 . 0.018 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.5 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.103 -29.188 2 C5'-C4'-O4' 130.866 15.476 . 0.266 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.653 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.096 -29.721 2 C1'-O4'-C4' 121.897 13.663 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.607 " O2'" ' C6 ' ' B' ' 210' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.625 2 C5'-C4'-O4' 153.587 31.705 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.607 ' C6 ' " O2'" ' B' ' 209' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.96 3 C5'-C4'-O4' 147.382 27.273 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.596 " O2'" ' P ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.108 -28.722 1 C1'-O4'-C4' 122.445 14.272 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.653 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.716 2 C5'-C4'-O4' 128.528 13.806 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.521 " H2'" ' C4 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.09 -30.236 2 C1'-O4'-C4' 123.248 15.165 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.521 ' C4 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.315 -11.465 3 C5'-C4'-O4' 148.698 28.213 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.799 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.164 1 C5'-C4'-O4' 119.196 7.14 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.799 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.153 -25.035 2 C5'-C4'-O4' 140.677 22.484 . 0.235 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.59 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.15 -25.242 2 C1'-O4'-C4' 122.149 13.943 . 0.361 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.59 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.361 -7.636 3 C5'-C4'-O4' 123.508 10.22 . 0.327 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.541 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.391 -5.138 2 C1'-O4'-C4' 117.65 8.945 . 0.086 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.2 mtt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.51 0.195 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -52.49 -43.1 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.467 ' CG ' ' OP2' ' B' ' 212' ' ' ' A' . 4.2 mptt -60.79 -41.66 96.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.098 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.37 -18.45 43.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -57.9 -35.48 71.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.87 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 3.1 t80 -59.77 -13.92 12.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -58.8 -15.29 11.64 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -60.81 -13.96 18.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 4.1 tt0 -55.69 -30.78 61.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -55.45 -20.13 11.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -130.11 43.01 3.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.9 m 84.81 145.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -122.91 -175.22 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' N ' HG13 ' A' ' 13' ' ' VAL . 47.8 tttt -134.27 109.54 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 25.3 t -72.21 114.95 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 108.259 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.437 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.1 p90 -80.67 8.77 7.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 2.3 t30 -107.64 -64.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.1 p -83.23 -26.95 30.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 99.69 -36.43 4.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' GLY . 24.3 mttp -47.0 173.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -121.9 159.1 27.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.337 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.51 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 114.85 -32.55 5.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.663 ' N ' HG12 ' A' ' 13' ' ' VAL . 14.2 p-80 -141.87 173.01 11.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.58 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.87 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 28.4 pt -116.18 163.2 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.92 -37.32 63.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.671 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.44 -29.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.185 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.594 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.3 OUTLIER -150.38 57.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 41.8 t -73.12 113.75 10.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -89.99 18.91 5.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -47.6 151.91 1.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 48.13 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 165.44 -179.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 18.34 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER 65.35 -173.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -153.08 -176.59 25.76 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.539 1.15 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 52.9 t -60.95 123.51 17.8 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.741 ' CZ2' ' C2 ' ' B' ' 209' ' ' ' G' . 14.7 m0 -70.7 -5.41 29.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -90.19 -76.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 18.2 p -67.85 -45.92 73.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 108.283 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.482 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . 97.43 43.56 2.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -117.67 126.33 52.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 0.747 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -73.37 147.31 44.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.86 -28.67 10.87 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 10.7 p-80 -132.22 160.61 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.75 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.563 ' HB2' ' C5 ' ' B' ' 209' ' ' ' G' . 2.0 pt20 -120.42 177.15 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.656 ' CE ' ' CE3' ' A' ' 37' ' ' TRP . 69.5 mtm -54.52 -49.58 69.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -15.99 13.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -131.66 42.38 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 48.8 t -93.09 114.7 27.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.21 2.46 55.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.85 62.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.83 91.63 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 67.91 116.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.69 174.82 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.4 123.14 18.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.953 ' HA ' " H5'" ' B' ' 201' ' ' CG1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.535 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.396 -4.709 3 C5'-C4'-O4' 128.051 13.465 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.535 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.303 -12.489 2 O4'-C4'-C3' 96.707 -6.281 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.638 HO2' ' P ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.324 -10.764 3 C5'-C4'-O4' 130.208 15.006 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.638 ' P ' HO2' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.06 2 C5'-C4'-O4' 134.479 18.057 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.496 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.123 -27.464 2 C1'-O4'-C4' 122.419 14.243 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.675 ' C4 ' ' C6 ' ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.393 -4.967 2 O4'-C4'-C3' 92.692 -9.149 . 0.69 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.675 ' C6 ' ' C4 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.083 -30.84 2 C5'-C4'-O4' 134.668 18.191 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.741 ' C2 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 0 C3'--C2' 1.504 -1.917 3 C5'-C4'-O4' 146.169 26.406 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.509 " O2'" ' C2 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.251 -16.842 2 C1'-O4'-C4' 120.009 11.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.51 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.071 -31.839 1 C1'-O4'-C4' 123.436 15.373 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.513 " H2'" " O4'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.127 3 C5'-C4'-O4' 139.069 21.335 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.513 " O4'" " H2'" ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.194 -21.605 2 C5'-C4'-O4' 126.212 12.151 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.491 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.106 -28.953 2 C1'-O4'-C4' 122.968 14.853 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.665 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.11 2 C1'-O4'-C4' 113.58 4.422 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.665 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.116 -28.07 2 C5'-C4'-O4' 138.848 21.177 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.592 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.159 -24.461 2 C5'-C4'-O4' 133.061 17.044 . 0.277 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.592 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.339 -9.492 3 C1'-O4'-C4' 118.326 9.695 . 0.228 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.54 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.394 -4.902 3 C1'-O4'-C4' 117.437 8.708 . 0.243 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tpt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.511 0.196 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -143.41 -59.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -20.3 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.48 -17.94 42.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.79 -35.24 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CE1' HD13 ' A' ' 24' ' ' ILE . 3.7 t80 -59.14 -14.55 10.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -56.25 -17.5 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -60.48 -14.75 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.488 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 10.9 tm0? -55.96 -33.43 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -46.61 -23.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -110.52 -24.49 10.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 158.06 153.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.729 HG22 ' H ' ' A' ' 14' ' ' LYS . 2.6 p -143.24 -175.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.729 ' H ' HG22 ' A' ' 13' ' ' VAL . 3.7 tttt -131.1 129.33 41.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 34.6 t -94.18 111.48 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 108.321 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.29 10.08 9.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.454 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 2.4 t-20 -103.68 -54.5 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -92.89 -35.88 13.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 108.352 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.15 35.12 5.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.52 148.22 50.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.184 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -90.17 160.03 16.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.48 -32.25 5.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 13.2 p-80 -148.88 174.71 11.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.65 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.85 HD11 ' HD2' ' A' ' 26' ' ' LYS . 23.9 pt -118.28 163.52 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.88 -38.54 64.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.85 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.19 -29.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.581 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.3 OUTLIER -150.17 57.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 49.5 t -73.93 146.22 44.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -33.29 69.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.209 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -39.55 103.02 0.27 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 49.9 2.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 68.64 146.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 173.83 72.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -40.17 113.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -173.64 146.04 8.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.416 1.072 . . . . 0.0 111.001 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 44' ' ' HIS . 51.0 t -69.3 104.7 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.75 18.64 4.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 107.974 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.83 -32.15 7.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.2 p -110.2 -44.68 3.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.09 29.85 2.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.21 118.57 28.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 0.72 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.473 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -77.1 161.39 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.17 -26.88 20.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 36' ' ' CYS . 21.6 p-80 -134.41 -172.85 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.459 ' OE1' ' CG ' ' A' ' 47' ' ' LYS . 2.2 pt20 -134.23 172.25 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.2 ttp -54.83 -48.55 72.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.459 ' CG ' ' OE1' ' A' ' 45' ' ' GLN . 27.0 mttm -62.34 -11.88 17.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.54 22.23 9.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.0 t -71.32 155.08 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.329 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.6 p -93.2 -21.52 19.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -73.5 -58.68 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.245 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.95 127.7 54.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -175.71 -59.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 57.58 63.55 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -110.38 146.83 35.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.554 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.554 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.333 -10.031 3 C5'-C4'-O4' 127.676 13.197 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.528 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.287 -13.864 1 O4'-C4'-C3' 97.345 -5.825 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.539 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.335 -9.811 3 C5'-C4'-O4' 139.938 21.956 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.539 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.405 -4.002 2 C5'-C4'-O4' 135.466 18.761 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.474 " C1'" " H2'" ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.3 -12.741 2 C1'-O4'-C4' 119.05 10.5 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.436 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.178 -22.938 1 C1'-O4'-C4' 119.708 11.231 . 0.135 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.501 ' N2 ' ' N6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.078 -31.283 1 C1'-O4'-C4' 123.355 15.284 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.534 ' C6 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.395 -4.803 3 C5'-C4'-O4' 139.538 21.67 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.406 ' OP1' " C4'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.39 -5.273 2 C5'-C4'-O4' 125.016 11.297 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.604 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.172 -23.452 2 C5'-C4'-O4' 90.069 -13.665 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.556 ' P ' " O2'" ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.347 2 C5'-C4'-O4' 137.506 20.219 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.545 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.092 -30.092 2 C5'-C4'-O4' 131.339 15.813 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.52 ' C4 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.372 -6.739 2 C5'-C4'-O4' 150.13 29.236 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.581 ' C6 ' ' HB2' ' A' ' 27' ' ' ASN . . . . . . . . 0 O4'--C4' 1.408 -3.714 2 C1'-O4'-C4' 115.737 6.819 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.436 " H5'" " C2'" ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.139 -26.17 2 C5'-C4'-O4' 140.611 22.437 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.607 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.212 -20.102 2 C5'-C4'-O4' 130.127 14.948 . 0.088 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.607 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.364 -7.456 2 O4'-C4'-C3' 94.258 -8.03 . 0.207 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.546 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.393 -5.011 3 O4'-C4'-C3' 94.096 -8.146 . 0.239 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mtt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.436 0.16 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 70.52 -63.11 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -58.76 -40.78 84.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.64 -24.95 57.8 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -58.45 -35.6 72.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.574 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 19.8 t80 -60.13 -13.25 11.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -60.77 -12.51 10.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -59.74 -13.62 10.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -55.2 -33.78 63.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.392 1.058 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -18.4 8.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 12' ' ' THR . 4.8 mttt -128.13 42.51 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.607 HG23 ' HA2' ' A' ' 22' ' ' GLY . 25.0 m 74.65 149.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.806 HG11 HG23 ' A' ' 24' ' ' ILE . 1.1 p -121.3 -174.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.621 ' H ' HG22 ' A' ' 13' ' ' VAL . 10.0 tttt -121.58 116.61 24.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 34.7 t -81.44 106.65 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.336 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.02 0.69 12.88 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.504 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 5.4 t30 -98.23 -76.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -70.66 -31.84 68.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 108.267 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 105.03 -31.46 8.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' GLY . 3.6 ttmt -51.71 -176.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -131.58 157.83 42.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.607 ' HA2' HG23 ' A' ' 12' ' ' THR . . . 116.48 -33.89 4.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.632 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 25.3 p-80 -137.77 178.77 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 0.803 . . . . 0.0 109.562 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.806 HG23 HG11 ' A' ' 13' ' ' VAL . 25.9 pt -121.19 160.89 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -54.32 -37.73 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.635 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.14 -29.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.578 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.4 OUTLIER -150.73 57.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.632 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.2 t -69.85 151.0 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 108.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -109.2 30.24 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.53 151.93 0.24 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 48.29 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.431 1.753 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.469 ' HD3' ' CG ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER 171.22 167.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -67.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -124.55 130.58 52.72 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -160.82 147.35 13.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' HIS . 52.7 t -72.25 105.66 4.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.56 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.54 19.91 4.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -109.76 -30.81 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.7 p -110.9 -43.66 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.74 31.12 2.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -125.63 125.2 42.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 0.825 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.469 ' CG ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -82.16 167.55 18.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.6 9.06 65.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' CYS . 13.8 p-80 -171.0 -176.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.63 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.515 ' CD ' ' HB2' ' A' ' 47' ' ' LYS . 2.7 pt20 -135.04 170.52 15.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.477 ' HG2' ' N7 ' ' B' ' 209' ' ' ' G' . 0.1 OUTLIER -50.38 -37.47 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HB2' ' CD ' ' A' ' 45' ' ' GLN . 2.4 mttt -57.08 -39.97 76.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -109.28 31.88 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.439 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 7.6 t -58.73 159.36 6.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 108.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 t -140.17 14.1 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -38.92 -47.55 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.71 -56.56 13.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 140.91 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.49 63.2 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -146.11 176.11 9.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.102 -29.246 2 C1'-O4'-C4' 122.691 14.545 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.548 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.332 -10.103 1 O4'-C4'-C3' 95.495 -7.146 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.552 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.173 -23.3 2 C5'-C4'-O4' 133.04 17.028 . 0.08 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.552 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.236 -18.057 3 C1'-O4'-C4' 116.206 7.34 . 0.233 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.561 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.229 -18.67 2 C5'-C4'-O4' 130.503 15.216 . 0.011 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.591 " H2'" " H4'" ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.4 -4.423 3 C5'-C4'-O4' 136.857 19.755 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.591 " H4'" " H2'" ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.157 -24.668 2 C5'-C4'-O4' 141.058 22.756 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.606 " O2'" ' C6 ' ' B' ' 210' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.406 -3.946 2 C5'-C4'-O4' 153.019 31.299 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.606 ' C6 ' " O2'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.196 1 C5'-C4'-O4' 137.82 20.443 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.594 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.101 -29.363 1 C1'-O4'-C4' 122.29 14.099 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.543 ' P ' " O2'" ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.551 2 C5'-C4'-O4' 139.308 21.506 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.61 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.143 -25.81 2 C5'-C4'-O4' 128.93 14.093 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.5 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.12 -27.786 2 C5'-C4'-O4' 133.73 17.522 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.702 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.168 1 C1'-O4'-C4' 113.264 4.071 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.702 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.15 -25.23 2 C5'-C4'-O4' 141.105 22.79 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.579 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.134 -26.578 2 C5'-C4'-O4' 131.676 16.054 . 0.312 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.579 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.235 -18.157 2 C5'-C4'-O4' 130.913 15.509 . 0.113 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.559 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.388 -5.416 2 O4'-C4'-C3' 94.05 -8.178 . 0.259 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.431 0.157 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.86 113.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 15.0 pttt -58.74 -40.76 84.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 3' ' ' LYS . . . -58.78 -24.95 58.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.33 -35.4 69.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.506 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 1.7 t80 -59.07 -23.34 61.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -60.69 -14.2 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -61.4 -14.26 26.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.416 HE22 HG11 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -55.52 -24.58 32.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.624 1.203 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -56.14 -24.97 44.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -124.42 34.08 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.1 m 83.21 156.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.741 HG22 ' H ' ' A' ' 14' ' ' LYS . 3.6 p -129.2 -176.65 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.741 ' H ' HG22 ' A' ' 13' ' ' VAL . 9.8 tttm -137.93 127.78 25.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 25' ' ' ALA . 33.3 t -80.22 117.43 21.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -83.6 14.34 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.606 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.5 t30 -114.8 -51.92 2.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -100.43 -34.42 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.277 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 109.48 -41.84 2.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.78 150.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -103.13 160.02 15.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 111.68 -31.22 7.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.695 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 4.4 p-80 -139.96 -176.72 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.586 HD11 ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -128.76 165.02 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.606 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -55.21 -52.57 62.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.586 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.98 -25.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.569 ' HB3' ' C6 ' ' B' ' 215' ' ' ' A' . 0.0 OUTLIER -145.87 58.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.695 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 42.2 t -80.64 136.27 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.248 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ALA . 35.6 mtp180 -56.81 -30.83 64.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -38.94 141.04 0.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 -32.61 5.1 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 6.1 tmm_? 72.15 132.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 7.4 tttm -169.93 46.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' LYS . 13.3 mttt 59.03 112.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 44' ' ' HIS . . . -168.29 128.68 1.75 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' HIS . 49.8 t -71.63 105.41 3.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.628 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.75 16.87 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -105.24 -33.37 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 28.7 p -109.01 -44.56 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 108.241 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.15 30.65 2.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -119.66 129.81 54.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 0.725 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.98 162.31 18.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.76 -24.52 31.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 17.2 p-80 -136.39 -174.74 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.644 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.443 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 1.4 pt20 -134.47 172.01 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttm -54.79 -47.0 74.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.443 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 1.7 mmpt? -61.24 -12.91 14.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.09 23.79 7.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.2 t -65.98 154.44 39.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 108.295 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 p -99.19 -21.97 15.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -58.85 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.87 124.08 9.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 63.28 97.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.56 167.64 9.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -49.18 158.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.58 ' O6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.58 ' C6 ' ' O6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.216 -19.774 1 C1'-O4'-C4' 117.394 8.66 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.595 " H2'" ' C8 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.397 -4.645 1 O4'-C4'-C3' 92.995 -8.932 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.595 ' C8 ' " H2'" ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.105 -28.999 2 C1'-O4'-C4' 122.575 14.417 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.57 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.303 -12.509 3 C5'-C4'-O4' 118.716 6.797 . 0.428 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.526 " C1'" " H2'" ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.366 -7.284 3 O4'-C4'-C3' 94.416 -7.917 . 0.369 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.397 -4.653 2 O4'-C4'-C3' 93.544 -8.54 . 0.269 7a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.644 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.212 -20.088 2 C1'-O4'-C4' 117.899 9.221 . 0.232 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.299 3 C5'-C4'-O4' 149.315 28.654 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.217 2 C1'-O4'-C4' 117.564 8.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.574 " O2'" ' P ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.137 -26.316 2 C1'-O4'-C4' 121.283 12.981 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.644 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.945 2 C5'-C4'-O4' 133.979 17.699 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.517 " H2'" ' C4 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.096 -29.76 2 C5'-C4'-O4' 130.096 14.926 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.517 ' C4 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.151 -25.184 2 C5'-C4'-O4' 141.673 23.195 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.692 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.402 -4.265 1 C5'-C4'-O4' 122.552 9.537 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.692 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.155 -24.866 2 C5'-C4'-O4' 140.198 22.141 . 0.236 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.594 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.172 -23.376 2 C5'-C4'-O4' 131.861 16.187 . 0.099 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.598 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.208 -20.42 2 C1'-O4'-C4' 118.88 10.311 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.598 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.377 -6.307 2 O4'-C4'-C3' 94.329 -7.979 . 0.532 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mtt . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.514 0.197 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 18.6 mt-30 -54.61 157.88 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -46.21 91.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.98 -12.0 34.21 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 4.9 t30 -60.96 -15.33 30.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.615 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 6.1 t80 -59.17 -14.28 10.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -58.2 -14.97 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -60.25 -13.33 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HG2' ' CG1' ' A' ' 13' ' ' VAL . 4.9 tm0? -54.33 -28.7 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -54.54 -18.96 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 12' ' ' THR . 7.1 ttmt -136.18 44.27 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.552 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.0 m 85.68 142.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.667 HG21 ' CG2' ' A' ' 24' ' ' ILE . 7.7 p -127.53 169.3 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' N ' HG22 ' A' ' 13' ' ' VAL . 16.0 tttt -113.24 110.46 20.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 34.3 t -63.49 107.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 108.336 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 3.4 t80 -71.12 3.63 3.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.544 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 4.0 t30 -107.3 -80.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -66.61 -31.91 72.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 105.13 -38.69 3.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.589 1.18 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -50.7 156.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 12.3 pt-20 -101.99 164.66 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.79 -33.31 5.27 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.604 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.7 p-80 -145.19 -178.39 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 0.821 . . . . 0.0 109.602 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.667 ' CG2' HG21 ' A' ' 13' ' ' VAL . 37.2 pt -121.77 162.76 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.577 ' HB1' ' C5 ' ' B' ' 210' ' ' ' U' . . . -54.06 -40.59 67.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.473 ' HE2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -39.69 -28.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.537 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.4 OUTLIER -150.11 58.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.604 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.3 t -75.88 136.98 40.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -31.69 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -45.46 152.66 0.64 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 48.12 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.768 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -86.38 -177.68 6.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.371 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER 90.48 -17.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.6 31.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -154.07 142.94 9.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' HIS . 43.7 t -71.62 107.19 4.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.631 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.45 16.33 7.78 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 1.6 tttp -105.76 -33.23 8.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 41' ' ' LYS . 29.9 p -112.48 -44.76 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 108.279 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.21 31.93 2.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 14.4 mttt -120.16 120.69 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 161.21 28.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.84 -2.09 56.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.578 1.174 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' CYS . 16.2 p-80 -161.95 -177.6 5.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 0.768 . . . . 0.0 109.603 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.482 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 3.0 pt20 -129.56 171.76 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.49 ' CG ' ' N7 ' ' B' ' 209' ' ' ' G' . 1.9 ppp? -58.67 -32.5 69.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.482 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -64.03 -14.9 57.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -133.97 29.01 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 8.9 t -57.63 144.62 36.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t -118.98 13.45 13.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -59.27 4.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.49 168.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -40.51 111.05 0.18 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.13 147.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -150.03 -38.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.948 ' HB ' " C5'" ' B' ' 201' ' ' CG1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.546 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.399 -4.489 3 C5'-C4'-O4' 131.233 15.738 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.529 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.253 -16.641 3 C1'-O4'-C4' 114.421 5.357 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.55 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.157 -24.691 2 C1'-O4'-C4' 122.084 13.871 . 0.427 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.55 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.23 -18.564 3 C5'-C4'-O4' 122.543 9.531 . 0.334 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.511 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.321 -10.981 2 C5'-C4'-O4' 132.798 16.855 . 0.012 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.511 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.356 -8.12 3 C1'-O4'-C4' 118.625 10.028 . 0.015 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.651 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.127 -27.185 2 C1'-O4'-C4' 122.588 14.431 . 0.245 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.49 ' N7 ' ' CG ' ' A' ' 46' ' ' MET . . . . . . . . 0 O4'--C4' 1.405 -3.997 3 C5'-C4'-O4' 147.168 27.12 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.577 ' C5 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.401 -4.302 2 C5'-C4'-O4' 95.201 -10.0 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.457 ' N7 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.082 -30.938 1 C1'-O4'-C4' 122.65 14.5 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.651 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.561 3 C5'-C4'-O4' 140.75 22.535 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.533 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.246 -17.275 3 C5'-C4'-O4' 127.803 13.288 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.533 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.17 -23.617 2 C5'-C4'-O4' 91.02 -12.986 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.589 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.406 -3.898 2 C5'-C4'-O4' 91.14 -12.9 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.589 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.121 -27.705 2 C5'-C4'-O4' 139.473 21.624 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.588 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.155 -24.872 2 C1'-O4'-C4' 122.122 13.914 . 0.227 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.588 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.332 -10.125 3 C5'-C4'-O4' 130.78 15.414 . 0.163 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.528 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.394 -4.883 3 C1'-O4'-C4' 117.915 9.239 . 0.087 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.515 0.198 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 74.59 -59.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' CD ' ' OP1' ' B' ' 212' ' ' ' A' . 32.3 ttpt -57.64 -35.81 71.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.72 -15.04 32.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -58.03 -34.77 70.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' A' ' 24' ' ' ILE . 1.9 t80 -60.65 -13.72 16.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -61.75 -13.13 20.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -60.34 -15.23 23.67 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -56.26 -33.36 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -55.56 -23.05 24.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.94 42.51 3.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m 71.35 121.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.742 HG11 HG23 ' A' ' 24' ' ' ILE . 1.4 p -94.56 -175.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.644 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -135.27 117.47 15.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 30.5 t -74.76 112.17 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.81 3.36 33.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 2.5 t30 -96.23 -56.3 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -91.84 -35.0 14.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 113.39 -36.98 3.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -48.59 175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.97 162.88 24.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 111.55 -30.44 7.85 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.069 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 11.3 p-80 -142.0 174.42 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.615 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.742 HG23 HG11 ' A' ' 13' ' ' VAL . 43.7 pt -117.0 164.86 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.55 ' O ' ' C2 ' ' B' ' 210' ' ' ' U' . . . -54.44 -38.17 65.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' NZ ' " H4'" ' B' ' 213' ' ' ' G' . 0.0 OUTLIER -40.9 -27.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.359 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.58 ' CB ' ' C6 ' ' B' ' 215' ' ' ' A' . 0.3 OUTLIER -150.83 57.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 52.9 t -76.09 107.71 8.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 108.26 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -84.86 11.93 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.615 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -39.34 99.79 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.07 -2.09 12.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 170.93 176.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 88.86 -14.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -49.61 117.36 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -148.16 163.71 28.92 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' HIS . 36.3 t -76.62 116.04 16.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.646 ' NE1' ' C6 ' ' B' ' 209' ' ' ' G' . 9.1 p-90 -87.85 35.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.125 . . . . 0.0 107.985 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.94 -43.35 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.3 p -101.82 -31.15 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.251 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.13 28.2 11.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.43 125.8 51.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -82.07 157.18 24.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.16 8.49 56.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.566 1.167 . . . . 0.0 111.027 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.9 p-80 -170.02 172.61 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.624 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.546 ' HB2' ' C6 ' ' B' ' 209' ' ' ' G' . 2.9 pt20 -128.59 169.18 14.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.423 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 44.0 ttp -53.64 -42.09 67.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.59 -24.51 14.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.377 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.91 44.03 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.1 t -69.69 158.29 35.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.344 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.8 p -115.61 -6.42 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.414 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -104.33 -60.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 61.57 82.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -78.36 123.48 27.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.18 -61.02 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -126.09 141.39 51.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.526 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.531 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.467 3 C5'-C4'-O4' 134.357 17.969 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.531 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.206 -20.582 1 C1'-O4'-C4' 118.508 9.897 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.729 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.136 -26.406 1 C1'-O4'-C4' 120.936 12.596 . 0.377 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.729 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.387 -5.522 2 O4'-C4'-C3' 93.047 -8.895 . 0.05 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.474 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.315 2 C1'-O4'-C4' 117.853 9.17 . 0.015 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.474 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.367 2 C1'-O4'-C4' 117.563 8.848 . 0.324 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.653 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.091 -30.159 2 C1'-O4'-C4' 123.093 14.993 . 0.066 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.646 ' C6 ' ' NE1' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.41 -3.608 3 C5'-C4'-O4' 148.011 27.722 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.55 ' C2 ' ' O ' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.328 -10.386 0 C3'-C2'-O2' 102.69 -3.659 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.784 H5'' " H4'" ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.17 -23.616 2 C5'-C4'-O4' 138.138 20.67 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.784 " H4'" H5'' ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.53 2 C5'-C4'-O4' 138.09 20.636 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.501 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.169 -23.684 2 C5'-C4'-O4' 127.078 12.77 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.484 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.084 -30.708 2 C1'-O4'-C4' 123.17 15.078 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.785 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.359 2 C5'-C4'-O4' 117.02 5.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.785 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.153 -25.024 2 C5'-C4'-O4' 140.068 22.048 . 0.253 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.595 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.161 -24.367 2 C5'-C4'-O4' 133.021 17.015 . 0.189 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.595 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.331 -10.165 3 C5'-C4'-O4' 124.308 10.792 . 0.234 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.542 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.395 -4.858 2 C1'-O4'-C4' 117.588 8.876 . 0.278 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.499 0.19 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.457 ' O ' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 41.13 -166.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -38.04 89.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 7' ' ' ARG . . . -55.69 -16.35 11.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -56.68 -40.56 75.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 3.5 t80 -59.82 -14.37 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 9.4 ttm180 -57.68 -16.98 12.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.56 -14.02 26.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.567 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 6.6 tt0 -56.35 -28.63 59.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -20.04 18.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -128.73 41.59 3.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.508 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.2 m 83.05 151.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 110.359 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.728 HG11 HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -133.92 -175.29 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' H ' HG22 ' A' ' 13' ' ' VAL . 4.6 ttpt -130.21 122.4 28.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 24.6 t -85.72 113.73 22.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 108.335 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.474 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -82.81 9.21 10.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.977 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.508 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 4.8 t30 -105.76 -57.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.1 p -91.86 -31.89 15.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 108.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 106.03 -36.14 4.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLY . 5.9 mptt -47.4 173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' OE1' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -121.88 161.48 22.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 112.52 -31.28 6.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.066 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.637 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.1 p-80 -142.12 -179.69 6.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.728 HG23 HG11 ' A' ' 13' ' ' VAL . 36.4 pt -124.87 162.73 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB1' ' C6 ' ' B' ' 210' ' ' ' U' . . . -52.73 -40.37 62.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' CE ' " H3'" ' B' ' 211' ' ' ' G' . 0.0 OUTLIER -39.93 -28.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 109.253 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.577 ' HB2' ' C4 ' ' B' ' 215' ' ' ' A' . 0.4 OUTLIER -151.17 58.37 0.9 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 45.0 t -74.06 145.2 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -94.06 21.29 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.86 109.28 1.55 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 50.72 2.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 21.7 mtt180 58.68 114.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.218 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 164.13 54.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -39.86 120.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.96 110.97 1.63 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.42 ' HA ' ' O6 ' ' B' ' 209' ' ' ' G' . 42.1 t -65.93 107.3 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.671 ' NE1' ' C6 ' ' B' ' 209' ' ' ' G' . 4.0 p-90 -89.46 10.88 21.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.16 . . . . 0.0 108.007 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -37.07 10.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.49 -41.07 5.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 108.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.38 28.92 4.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -118.92 140.09 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -92.6 165.99 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.217 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.8 -8.73 76.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.964 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.483 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 11.4 p-80 -153.1 -179.5 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.617 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.506 ' OE1' ' CG ' ' A' ' 47' ' ' LYS . 4.3 pt20 -134.31 172.9 12.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.427 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 5.3 tmm? -54.8 -47.74 73.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.506 ' CG ' ' OE1' ' A' ' 45' ' ' GLN . 3.2 mmpt? -58.47 -17.23 19.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.35 28.87 6.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.483 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.1 t -64.46 157.99 25.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 108.26 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.4 p -116.93 -10.43 10.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.356 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -52.72 -60.03 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 8.4 ptp85 -56.73 -38.47 72.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 1.9 tp60 -149.17 117.17 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.34 71.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -123.2 146.24 47.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.546 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.546 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.342 -9.21 3 O4'-C4'-C3' 95.144 -7.397 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.537 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.304 -12.384 1 O4'-C4'-C3' 96.621 -6.342 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.565 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.345 -9.04 2 C5'-C4'-O4' 140.194 22.139 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.565 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.093 -29.959 2 C1'-O4'-C4' 123.104 15.005 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.481 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.394 -4.917 3 C1'-O4'-C4' 117.958 9.286 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.508 " O2'" ' C4 ' ' B' ' 210' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.164 -24.118 1 C1'-O4'-C4' 120.228 11.809 . 0.194 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.652 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.096 -29.78 1 C1'-O4'-C4' 122.76 14.623 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.671 ' C6 ' ' NE1' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.409 -3.681 3 C5'-C4'-O4' 145.408 25.863 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.646 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.271 -15.137 1 C1'-O4'-C4' 116.442 7.602 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.583 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.127 -27.143 1 C1'-O4'-C4' 121.479 13.199 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.652 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.737 2 C5'-C4'-O4' 137.334 20.096 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.562 " H2'" ' C6 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.226 -18.906 3 C5'-C4'-O4' 123.29 10.064 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.562 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.078 -31.217 2 C5'-C4'-O4' 129.921 14.801 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.631 ' C8 ' ' OP2' ' B' ' 215' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.924 1 C5'-C4'-O4' 139.096 21.354 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.614 " H4'" " H2'" ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.089 -30.315 2 C5'-C4'-O4' 136.806 19.719 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.572 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.157 -24.695 2 C1'-O4'-C4' 121.44 13.156 . 0.018 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.572 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.364 -7.393 3 C1'-O4'-C4' 118.249 9.61 . 0.079 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.532 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.395 -4.853 3 C1'-O4'-C4' 117.923 9.248 . 0.02 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 mtt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.467 0.175 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 71.67 173.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -37.12 72.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.22 -18.32 41.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -57.84 -36.02 71.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.388 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.2 t80 -60.56 -13.52 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -13.21 19.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -61.12 -14.77 26.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' OE1' ' CE1' ' A' ' 6' ' ' PHE . 1.8 tt0 -55.71 -27.47 50.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -25.08 33.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -130.01 41.18 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.243 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.6 m 81.59 123.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.702 HG22 ' H ' ' A' ' 14' ' ' LYS . 2.7 p -90.4 -175.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.702 ' H ' HG22 ' A' ' 13' ' ' VAL . 11.0 ttpp -127.3 114.91 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 24.7 t -78.2 112.95 15.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -82.64 8.3 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.492 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 3.2 t30 -104.5 -57.3 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.6 p -92.82 -33.52 14.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 108.237 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.7 -37.28 3.89 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.9 172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 0.726 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -120.89 161.05 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.487 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 113.23 -31.9 6.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.115 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 9.2 p-80 -142.63 174.62 10.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.603 ' HB ' ' C5 ' ' B' ' 211' ' ' ' G' . 6.2 pt -118.21 164.7 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.661 ' HB1' ' C6 ' ' B' ' 210' ' ' ' U' . . . -53.96 -38.92 65.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' HE3' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.2 -27.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.589 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.2 OUTLIER -151.01 57.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 49.5 t -77.28 106.76 9.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.76 7.56 14.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.6 1.187 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -39.76 100.01 0.21 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 18.4 Cg_endo -75.06 -3.78 14.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.588 1.836 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 172.82 115.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 1.3 mttp 165.03 -30.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -38.5 116.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -153.22 151.03 22.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' HIS . 41.9 t -68.74 106.97 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.704 ' CZ2' ' C5 ' ' B' ' 209' ' ' ' G' . 3.9 p-90 -89.94 13.68 14.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CD ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -101.1 -34.74 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.4 p -109.44 -42.16 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.318 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.35 28.47 3.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -120.06 119.43 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.474 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 6.6 pt-20 -77.89 159.33 28.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.13 -26.43 22.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' CYS . 18.1 p-80 -134.22 -175.84 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 0.785 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.415 ' NE2' ' OP1' ' B' ' 208' ' ' ' G' . 2.5 pt20 -131.49 164.22 26.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.444 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 39.4 ttp -53.5 -50.42 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -54.69 -19.86 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -124.57 37.88 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 13.9 t -76.45 153.57 35.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.405 1.066 . . . . 0.0 108.295 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.8 p -90.89 -23.67 20.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.366 1.041 . . . . 0.0 110.4 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -110.96 57.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -56.78 3.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.38 144.9 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.54 142.35 8.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -68.7 -150.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.527 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.533 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.396 -4.742 3 C5'-C4'-O4' 129.126 14.233 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.533 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.168 -23.758 2 C1'-O4'-C4' 118.739 10.154 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.316 -11.384 2 C1'-O4'-C4' 118.806 10.229 . 0.433 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.076 2 C5'-C4'-O4' 133.925 17.66 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.545 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.164 -24.094 2 C1'-O4'-C4' 121.847 13.608 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.545 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.225 -19.039 2 C1'-O4'-C4' 116.375 7.528 . 0.045 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.646 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.095 -29.844 1 C1'-O4'-C4' 122.817 14.686 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.704 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.406 -3.953 3 C5'-C4'-O4' 147.363 27.259 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.661 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.246 -17.209 1 C1'-O4'-C4' 116.792 7.991 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.603 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.073 -31.667 1 C1'-O4'-C4' 123.318 15.242 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.646 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.847 2 C5'-C4'-O4' 135.333 18.666 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.491 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.251 -16.833 3 C5'-C4'-O4' 127.528 13.092 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.491 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.086 -30.606 2 C1'-O4'-C4' 123.378 15.309 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.674 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.097 1 C5'-C4'-O4' 124.213 10.724 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.674 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.09 -30.228 2 C5'-C4'-O4' 136.652 19.609 . 0.045 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.582 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.155 -24.841 2 C5'-C4'-O4' 132.499 16.642 . 0.522 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.582 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.36 -7.759 3 C5'-C4'-O4' 130.709 15.363 . 0.132 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.527 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.391 -5.139 3 C1'-O4'-C4' 118.041 9.379 . 0.043 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.438 0.161 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.38 -59.68 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -59.44 -42.41 91.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.51 53.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -61.87 -35.99 79.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.772 ' HE1' HG21 ' A' ' 24' ' ' ILE . 24.9 t80 -59.27 -13.51 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -57.49 -15.16 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -59.89 -13.26 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.84 -31.92 60.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -18.4 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.5 tptt -129.5 43.16 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.574 HG22 ' HB2' ' A' ' 21' ' ' GLU . 24.8 m 74.7 152.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -125.55 -172.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.586 ' H ' HG22 ' A' ' 13' ' ' VAL . 9.2 ttpt -125.25 119.91 29.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.5 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 38.1 t -75.57 108.46 8.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 108.206 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 11.8 t80 -71.16 11.69 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.532 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 4.9 t30 -120.66 -82.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 17' ' ' ASN . 16.9 p -66.28 -24.56 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 108.27 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 95.79 -37.05 3.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 15' ' ' CYS . 6.5 mttt -45.5 149.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HB2' HG22 ' A' ' 12' ' ' THR . 5.4 pm0 -99.28 151.06 21.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 126.89 -30.63 4.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.656 ' N ' HG12 ' A' ' 13' ' ' VAL . 16.7 p-80 -148.77 175.68 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.616 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.772 HG21 ' HE1' ' A' ' 6' ' ' PHE . 38.6 pt -112.47 162.21 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -56.52 -38.67 72.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' NZ ' ' N3 ' ' B' ' 212' ' ' ' A' . 0.0 OUTLIER -40.26 -28.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.519 ' HB2' ' C2 ' ' B' ' 215' ' ' ' A' . 0.4 OUTLIER -149.35 57.45 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.629 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 50.5 t -72.87 119.36 17.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 108.372 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.43 -27.25 69.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.533 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -38.74 99.43 0.19 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.99 49.22 2.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.769 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -60.82 177.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.32 47.5 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt 70.04 113.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.403 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -165.37 150.87 19.16 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.568 1.167 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 44.2 t -71.38 105.04 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.97 15.62 8.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.79 -33.57 8.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.7 p -110.16 -44.46 3.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 108.301 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.01 29.59 2.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -121.95 117.44 26.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -75.06 161.42 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.7 -27.05 19.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.8 p-80 -134.61 -173.73 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.598 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.465 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.8 pt20 -133.31 168.74 18.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.419 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 3.2 ttp -53.17 -41.7 65.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -54.13 -28.08 37.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.37 31.4 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 18.8 t -50.89 151.8 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.382 1.051 . . . . 0.0 108.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -110.73 -20.12 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -59.54 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.246 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 74.12 -57.42 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.076 . . . . 0.0 110.343 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 58.06 169.04 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.6 107.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -144.91 -140.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.51 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.53 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.381 -6.005 3 C5'-C4'-O4' 127.308 12.934 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.53 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.305 -12.322 2 O4'-C4'-C3' 96.601 -6.356 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.478 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.105 -28.989 2 C1'-O4'-C4' 122.554 14.393 . 0.475 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.478 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.287 -13.834 3 C5'-C4'-O4' 121.767 8.977 . 0.402 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.48 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.202 -20.942 2 C1'-O4'-C4' 120.675 12.306 . 0.177 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.48 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.384 2 O4'-C4'-C3' 92.43 -9.336 . 0.297 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.644 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.288 -13.767 2 O4'-C4'-C3' 97.008 -6.066 . 0.543 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.467 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.409 -3.652 3 C5'-C4'-O4' 146.316 26.511 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.517 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.292 -13.422 2 C5'-C4'-O4' 91.128 -12.908 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.525 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.103 -29.162 1 C1'-O4'-C4' 122.487 14.319 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.644 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.808 3 C5'-C4'-O4' 140.0 22.0 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.489 " H1'" ' CD ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.105 -28.997 2 C5'-C4'-O4' 129.495 14.496 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.455 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.218 -19.619 2 C5'-C4'-O4' 145.277 25.769 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.613 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.402 -4.214 1 C5'-C4'-O4' 122.433 9.452 . 0.01 5n . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.613 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.131 -26.828 2 C5'-C4'-O4' 139.882 21.916 . 0.305 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.578 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.167 -23.836 2 C5'-C4'-O4' 128.346 13.675 . 0.248 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.578 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.347 -8.85 3 C5'-C4'-O4' 127.532 13.094 . 0.259 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.528 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.388 -5.435 2 C1'-O4'-C4' 117.972 9.302 . 0.142 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.485 0.183 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 64.16 117.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.499 ' CB ' ' OP1' ' B' ' 212' ' ' ' A' . 0.0 OUTLIER -61.88 -30.32 70.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.9 -24.2 53.32 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.521 1.138 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -57.53 -37.33 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.636 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 1.9 t80 -60.12 -14.55 17.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -58.47 -16.14 13.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -61.22 -14.67 27.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -56.81 -31.18 64.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -57.68 -19.31 25.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -126.81 39.74 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.605 1.19 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.4 m 81.95 149.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.768 HG21 ' CG2' ' A' ' 24' ' ' ILE . 10.8 p -135.4 172.29 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' H ' HG22 ' A' ' 13' ' ' VAL . 8.4 ttmt -122.2 129.08 51.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.7 t -88.82 111.42 22.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.04 13.58 5.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 1.8 t-20 -108.21 -55.63 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -99.67 -24.77 14.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 108.343 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.28 -42.14 1.97 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.77 161.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 0.721 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -113.9 174.72 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.61 -22.24 41.92 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.599 1.187 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 12.2 p-80 -149.44 173.59 13.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.509 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.768 ' CG2' HG21 ' A' ' 13' ' ' VAL . 39.4 pt -116.41 161.96 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.416 1.073 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.55 -38.89 64.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.614 ' NZ ' " H4'" ' B' ' 213' ' ' ' G' . 0.0 OUTLIER -40.51 -28.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.375 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.584 ' HB2' ' C5 ' ' B' ' 215' ' ' ' A' . 0.3 OUTLIER -150.52 57.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.62 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.2 t -74.35 148.73 41.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 0.0 108.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.67 36.36 4.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.42 153.06 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.92 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 160.59 14.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -39.18 77.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.78 125.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -114.54 108.24 1.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HA ' ' O6 ' ' B' ' 209' ' ' ' G' . 48.8 t -61.42 108.32 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.781 ' CZ2' ' C5 ' ' B' ' 209' ' ' ' G' . 1.8 p-90 -90.29 12.59 17.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.612 1.195 . . . . 0.0 107.959 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.96 -39.5 8.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -106.23 -36.95 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.14 26.96 6.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.75 139.04 49.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 157.88 16.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.19 -23.37 35.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.494 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 9.7 p-80 -137.2 -177.4 4.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 109.628 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 2.9 pt20 -137.91 169.45 17.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.436 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 9.9 tmm? -53.26 -40.87 64.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.98 -29.73 57.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -124.63 39.33 4.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.494 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 8.7 t -62.91 157.96 20.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.317 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.6 t -137.15 16.81 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -124.65 -59.45 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 ttp-105 62.74 81.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.234 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 38.95 76.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.37 75.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -122.65 -159.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.501 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.593 ' C5 ' ' C4 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.385 3 C5'-C4'-O4' 133.504 17.36 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.593 ' C4 ' ' C5 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.227 -18.838 2 C1'-O4'-C4' 115.965 7.073 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.525 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.158 -24.584 1 C1'-O4'-C4' 121.685 13.427 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.525 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.252 -16.722 3 C5'-C4'-O4' 129.476 14.483 . 0.027 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.556 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.172 -23.44 2 C1'-O4'-C4' 121.643 13.381 . 0.012 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.556 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.171 -23.538 2 C5'-C4'-O4' 127.604 13.146 . 0.385 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.655 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.076 -31.448 1 C1'-O4'-C4' 123.364 15.294 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.781 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.407 -3.851 3 C5'-C4'-O4' 138.774 21.124 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.493 ' C2 ' ' O ' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.413 -3.354 2 C5'-C4'-O4' 97.701 -8.213 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.588 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.097 -29.674 2 C1'-O4'-C4' 122.814 14.682 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.655 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.451 2 C5'-C4'-O4' 135.378 18.699 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.614 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.24 -17.737 3 C5'-C4'-O4' 128.478 13.77 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.486 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.102 -29.209 1 C1'-O4'-C4' 121.363 13.07 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.755 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.207 2 C5'-C4'-O4' 95.62 -9.7 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.755 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.077 -31.308 2 C1'-O4'-C4' 122.937 14.819 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.634 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.178 -22.937 2 C1'-O4'-C4' 121.02 12.689 . 0.108 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.634 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.373 -6.685 3 C1'-O4'-C4' 117.449 8.721 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.538 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.392 -5.07 2 C1'-O4'-C4' 116.815 8.017 . 0.131 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.546 0.212 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.67 114.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' CB ' ' OP1' ' B' ' 212' ' ' ' A' . 0.0 OUTLIER -57.27 -33.36 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' A' ' 3' ' ' LYS . . . -59.51 -20.29 50.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -58.33 -35.18 71.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 t80 -60.08 -13.95 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -58.78 -15.57 12.82 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.43 -16.76 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.11 -29.87 61.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -25.13 52.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' THR . 8.4 pttt -127.57 39.26 3.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 4.0 m 77.39 122.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.45 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.896 HG11 HG23 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -94.33 -174.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' H ' HG22 ' A' ' 13' ' ' VAL . 22.0 tttm -131.42 118.77 20.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 t -81.37 113.13 19.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.66 9.36 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -105.78 -56.49 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -92.91 -30.62 15.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 108.335 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.19 -36.9 4.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.19 172.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.28 166.33 15.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.98 -27.18 18.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 7.8 p-80 -145.96 163.88 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.896 HG23 HG11 ' A' ' 13' ' ' VAL . 41.3 pt -108.35 161.24 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.539 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.18 -36.2 60.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HG2' ' ND2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -41.61 -28.66 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.576 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.2 OUTLIER -150.06 56.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.64 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 47.5 t -72.14 149.01 45.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' HG2' ' CE1' ' A' ' 23' ' ' HIS . 13.2 ptt-85 -114.79 33.09 5.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -38.78 154.04 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.6 8.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.486 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 2.4 mtt180 70.9 120.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 32' ' ' ARG . 1.3 tptm 175.28 72.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' LYS . 1.1 mttm -38.21 114.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.516 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -166.25 163.94 37.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 49.9 t -73.41 108.38 6.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.51 18.38 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 107.944 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -110.72 -34.01 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.82 -41.24 3.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 108.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.89 -40.38 1.75 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 118.93 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.1 pm0 -82.69 175.15 10.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.38 -14.2 55.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.036 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 8.9 p-80 -138.59 -179.71 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.545 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.427 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.9 pt20 -132.79 166.43 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.464 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 28.4 ttp -53.44 -49.55 67.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -55.68 -18.14 7.33 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 0.0 109.212 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.36 35.11 4.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 14.9 t -73.39 147.49 44.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 t -128.18 22.53 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.43 -59.42 2.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.5 -57.56 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.246 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.68 163.16 40.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.85 130.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.578 ' CG ' ' N ' ' A' ' 56' ' ' NH2 . 10.8 p-10 -179.55 -138.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . 0.578 ' N ' ' CG ' ' A' ' 55' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 1.05 ' HB ' " H5'" ' B' ' 201' ' ' CG1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.562 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.388 -5.455 3 C5'-C4'-O4' 133.271 17.193 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.521 " H2'" ' C8 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.265 -15.69 3 C1'-O4'-C4' 115.042 6.046 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.559 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.144 -25.713 2 C5'-C4'-O4' 140.262 22.187 . 0.341 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.559 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.096 -29.726 2 C5'-C4'-O4' 130.796 15.426 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.529 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.241 -17.649 1 C1'-O4'-C4' 119.449 10.943 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.537 ' C4 ' ' C6 ' ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.331 1 O4'-C4'-C3' 92.357 -9.388 . 0.115 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.65 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.153 -25.016 2 C1'-O4'-C4' 120.174 11.749 . 0.313 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.539 ' C6 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.411 -3.514 3 C5'-C4'-O4' 149.583 28.845 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.542 " C4'" ' OP2' ' B' ' 211' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.105 -28.987 2 C1'-O4'-C4' 122.786 14.651 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.614 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.084 -30.754 1 C1'-O4'-C4' 123.352 15.28 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.65 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.643 3 C5'-C4'-O4' 142.024 23.446 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.512 " C5'" " O2'" ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.128 -27.104 2 C1'-O4'-C4' 121.273 12.97 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.508 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.103 -29.173 1 C1'-O4'-C4' 121.14 12.822 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.7 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.042 2 C5'-C4'-O4' 96.164 -9.311 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.7 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.154 -24.877 2 C5'-C4'-O4' 140.713 22.509 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.605 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.148 -25.414 2 C5'-C4'-O4' 129.348 14.391 . 0.338 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.605 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.395 -4.807 2 C5'-C4'-O4' 140.632 22.452 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.557 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.15 -25.271 2 C5'-C4'-O4' 141.933 23.381 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.52 0.2 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -39.47 136.14 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -40.49 83.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.81 -25.29 58.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.612 1.195 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.87 -35.35 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 0.717 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.588 ' CE1' HD13 ' A' ' 24' ' ' ILE . 11.7 t80 -60.04 -13.84 13.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -59.42 -14.94 14.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -61.24 -14.07 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.538 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 2.3 tt0 -56.21 -29.35 60.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -20.66 20.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 12' ' ' THR . 14.9 mttt -128.19 41.53 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.1 m 83.55 150.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.439 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.715 HG22 ' H ' ' A' ' 14' ' ' LYS . 2.8 p -125.77 -175.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.715 ' H ' HG22 ' A' ' 13' ' ' VAL . 7.0 ttpt -130.34 122.12 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 t -89.44 112.97 24.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 1.1 p90 -82.72 7.05 16.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.2 t30 -102.9 -58.17 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -91.45 -32.7 15.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 108.267 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.25 -36.63 4.27 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.69 175.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 0.727 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.3 159.84 30.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.707 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 114.35 -32.31 5.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.609 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 12.2 p-80 -140.05 170.41 15.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 0.786 . . . . 0.0 109.641 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.845 HD11 ' HD2' ' A' ' 26' ' ' LYS . 20.7 pt -113.12 162.22 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.372 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.55 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.6 -36.1 64.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.845 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.96 -28.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.57 ' HB2' ' C2 ' ' B' ' 215' ' ' ' A' . 0.3 OUTLIER -150.11 56.8 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.609 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 47.4 t -73.13 147.72 44.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 108.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -125.16 36.49 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.29 133.78 94.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.22 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 50.42 2.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.35 146.42 47.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 0.0 110.31 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -93.06 -74.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -151.13 115.78 5.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -159.05 152.89 24.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' HIS . 42.1 t -71.75 104.84 3.53 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.36 15.74 8.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 107.989 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -104.17 -33.44 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.4 p -110.45 -44.4 3.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.93 29.86 2.48 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.8 117.25 25.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 13.9 pt-20 -74.57 164.88 26.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.64 -24.34 31.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.568 1.168 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.2 p-80 -137.51 -174.31 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.448 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.8 pt20 -132.94 168.82 17.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.415 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 5.5 tmm? -53.73 -43.02 68.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.62 -24.86 23.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -126.02 32.81 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.391 1.057 . . . . 0.0 109.337 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.486 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 18.1 t -56.28 151.39 12.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.247 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 p -127.18 24.65 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.456 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.21 65.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -82.59 141.38 32.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.2 122.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.229 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.31 75.88 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 177.18 131.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.526 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.529 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.397 -4.645 3 C5'-C4'-O4' 129.076 14.197 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.529 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.293 -13.352 2 O4'-C4'-C3' 97.025 -6.053 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.468 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.171 -23.46 2 C5'-C4'-O4' 133.804 17.574 . 0.124 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.536 " H2'" " C1'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.211 -20.134 2 C5'-C4'-O4' 122.414 9.438 . 0.106 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.536 " C1'" " H2'" ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.223 -19.2 1 C1'-O4'-C4' 120.615 12.239 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.526 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.239 -17.857 3 C1'-O4'-C4' 118.239 9.599 . 0.28 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.507 ' N2 ' ' C5 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.106 -28.887 1 C1'-O4'-C4' 122.22 14.022 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.495 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.408 -3.727 3 C5'-C4'-O4' 127.236 12.883 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.518 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.398 -4.6 2 C5'-C4'-O4' 94.606 -10.424 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.593 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.128 -27.078 2 C1'-O4'-C4' 121.344 13.049 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.559 ' P ' " O2'" ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.628 2 C5'-C4'-O4' 138.524 20.946 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.595 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.095 -29.808 2 C5'-C4'-O4' 131.324 15.803 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.55 ' C4 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.202 -20.906 2 C5'-C4'-O4' 144.567 25.262 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.804 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.398 -4.563 1 C5'-C4'-O4' 124.189 10.707 . 0.0 OUTLIER '7D dist 5n wannabe' 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.804 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.152 -25.058 2 C5'-C4'-O4' 138.945 21.246 . 0.181 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.593 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.16 -24.413 2 C5'-C4'-O4' 131.051 15.608 . 0.096 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.593 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.395 -4.856 2 O4'-C4'-C3' 93.529 -8.551 . 0.335 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.551 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.392 -5.068 2 O4'-C4'-C3' 93.587 -8.51 . 0.158 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.7 mtt . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.502 0.191 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 179.14 -59.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' CB ' ' OP1' ' B' ' 212' ' ' ' A' . 4.0 ptmm? -59.82 -43.32 94.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.54 -20.05 44.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -62.73 -37.53 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.76 ' CE1' HD13 ' A' ' 24' ' ' ILE . 3.9 t80 -60.23 -14.3 17.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 7.7 mmt85 -59.35 -15.22 15.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -59.55 -16.17 23.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 1.8 tt0 -56.68 -29.49 62.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -25.11 47.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -128.09 39.89 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 3.9 m 77.63 123.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.713 HG11 HG23 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -93.75 -175.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.564 ' H ' HG22 ' A' ' 13' ' ' VAL . 1.8 ttpm? -136.74 120.39 17.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 t -78.07 111.81 14.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 108.322 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -83.58 8.16 15.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 6.6 t30 -102.74 -56.45 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -92.3 -32.47 15.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.338 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 109.75 -37.2 3.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -46.58 171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -122.61 160.62 25.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.494 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 112.74 -31.23 6.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 15.3 p-80 -140.72 174.34 10.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.62 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.76 HD13 ' CE1' ' A' ' 6' ' ' PHE . 36.6 pt -117.59 162.61 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.02 -37.78 64.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.61 -28.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.526 ' ND2' ' HG2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -150.77 57.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.9 t -72.54 131.82 43.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.328 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' PRO . 1.9 ttt180 -65.66 -34.29 77.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -39.07 99.7 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.5 Cg_endo -74.91 49.02 2.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -75.04 117.94 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 5.2 ptpt -66.49 -53.87 30.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 4.2 mttt -173.21 115.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -160.62 151.32 21.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.503 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 43.8 t -77.2 107.27 9.46 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.32 14.31 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.014 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -102.07 -36.88 8.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.4 1.062 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 27.3 p -109.08 -42.25 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 108.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.4 28.47 3.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 116.68 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.7 155.88 38.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.0 -30.0 8.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.503 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 27.4 p-80 -131.17 -176.33 3.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 109.567 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.434 ' NE2' ' CB ' ' A' ' 47' ' ' LYS . 1.3 pt20 -132.47 169.13 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ttt -53.35 -51.11 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' CB ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -55.53 -18.1 6.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -125.61 37.38 4.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.9 t -80.51 148.8 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -139.75 29.56 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -139.61 60.81 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.93 167.96 22.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.185 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.4 132.55 36.67 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.64 111.56 19.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -137.92 -31.44 0.78 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.57 1.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.102 -29.286 2 C1'-O4'-C4' 122.727 14.586 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.54 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.374 -6.587 1 O4'-C4'-C3' 93.452 -8.605 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.556 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.161 -24.321 2 C5'-C4'-O4' 141.222 22.873 . 0.112 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.556 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.096 -29.72 2 C5'-C4'-O4' 130.847 15.462 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.562 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.22 -19.436 1 C1'-O4'-C4' 119.844 11.383 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.562 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.41 2 O4'-C4'-C3' 92.684 -9.154 . 0.799 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.647 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.199 -21.193 1 C1'-O4'-C4' 118.014 9.349 . 0.186 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.454 " O2'" ' C5 ' ' B' ' 210' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.402 -4.213 3 C5'-C4'-O4' 142.852 24.037 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.454 ' C5 ' " O2'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.276 2 C5'-C4'-O4' 135.734 18.953 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.581 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.079 -31.148 1 C1'-O4'-C4' 123.409 15.344 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.647 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.62 2 C5'-C4'-O4' 136.915 19.796 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.516 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.107 -28.831 2 C1'-O4'-C4' 122.362 14.18 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.516 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.105 -29.012 2 C1'-O4'-C4' 122.932 14.813 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.802 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.402 -4.277 2 C1'-O4'-C4' 115.061 6.068 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.802 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.103 -29.133 2 C5'-C4'-O4' 133.319 17.228 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.56 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.161 -24.3 2 C5'-C4'-O4' 130.27 15.05 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.56 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.303 -12.511 2 C5'-C4'-O4' 135.596 18.854 OUTLIER-DELTA 0.024 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.546 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.383 -5.863 3 C1'-O4'-C4' 118.196 9.551 . 0.079 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.472 0.177 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 39.12 67.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -58.08 -27.5 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.46 -16.98 38.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -57.75 -35.32 70.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 109.371 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.701 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -59.16 -14.25 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -17.64 9.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.83 -14.79 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.89 -31.79 63.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -58.31 -24.97 61.28 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 12' ' ' THR . 2.1 mmtp -119.72 26.02 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 22' ' ' GLY . 1.7 m 83.66 126.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 23' ' ' HIS . 1.1 p -89.27 -172.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.634 ' H ' HG22 ' A' ' 13' ' ' VAL . 11.5 tttm -129.79 110.41 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 35.3 t -74.99 113.17 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 61.3 t80 -80.99 16.5 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.556 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 3.9 t30 -115.8 -66.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -82.99 -16.99 45.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 108.328 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 76.84 20.0 76.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -171.7 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' OE1' HG21 ' A' ' 12' ' ' THR . 11.3 pt-20 -133.59 150.25 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.581 ' N ' HG22 ' A' ' 12' ' ' THR . . . 111.02 -31.46 7.23 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.651 ' N ' HG12 ' A' ' 13' ' ' VAL . 16.1 p-80 -140.38 167.32 22.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 0.714 . . . . 0.0 109.556 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.701 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 7.0 pt -115.88 156.46 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.556 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -53.29 -37.0 61.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.66 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.43 -28.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.603 1.189 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.582 ' HB2' ' C5 ' ' B' ' 215' ' ' ' A' . 0.5 OUTLIER -149.83 56.56 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.617 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.6 t -69.8 154.63 41.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 108.286 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.54 21.39 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.1 116.53 55.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 50.84 2.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.428 1.752 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -106.84 135.55 48.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.16 -72.66 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -150.78 114.68 5.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.13 154.0 24.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' HIS . 42.3 t -73.19 105.34 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.98 15.92 7.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 108.032 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -34.53 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.6 p -110.16 -44.38 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 108.327 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.86 29.57 2.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.155 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.88 115.0 22.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -73.15 159.98 32.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.19 -27.33 17.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.484 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.6 p-80 -134.31 -174.65 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.75 . . . . 0.0 109.569 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.7 pt20 -132.71 168.26 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.42 1.075 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.412 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 6.6 ttp -53.35 -43.36 67.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.449 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.73 -25.38 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.22 34.61 4.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 19.0 t -58.25 151.31 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 108.287 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.6 p -88.2 -26.09 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.05 62.04 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -60.14 124.25 19.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 74.75 -59.52 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 56' ' ' NH2 . . . 62.61 78.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 59.77 -32.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . 0.731 ' N ' ' O ' ' A' ' 54' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 201' ' ' CG1 . . . . . 0.56 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.56 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.355 -8.193 3 C5'-C4'-O4' 134.553 18.109 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 203' ' ' ' C' . . . . . 0.516 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.266 -15.554 2 C1'-O4'-C4' 115.811 6.901 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 204' ' ' ' G' . . . . . 0.581 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.189 -21.993 2 C5'-C4'-O4' 142.469 23.764 . 0.298 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 205' ' ' ' A' . . . . . 0.581 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.099 -29.49 2 C5'-C4'-O4' 131.082 15.63 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 206' ' ' ' C' . . . . . 0.564 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.185 -22.354 2 C5'-C4'-O4' 132.227 16.448 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 207' ' ' ' U' . . . . . 0.564 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.22 -19.416 2 C5'-C4'-O4' 134.579 18.128 OUTLIER-DELTA 0.042 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 208' ' ' ' G' . . . . . 0.66 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.259 -16.18 1 C5'-C4'-O4' 145.051 25.608 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.519 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.407 -3.815 2 C5'-C4'-O4' 152.416 30.868 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear build full ' B' B ' 210' ' ' ' U' . . . . . 0.553 ' C2 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.41 -3.563 3 C5'-C4'-O4' 146.501 26.644 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear build full ' B' B ' 211' ' ' ' G' . . . . . 0.469 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.069 -31.978 1 C1'-O4'-C4' 123.568 15.52 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear build full ' B' B ' 212' ' ' ' A' . . . . . 0.66 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.077 2 C5'-C4'-O4' 135.771 18.979 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.574 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.188 -22.052 2 C5'-C4'-O4' 128.799 13.999 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 214' ' ' ' U' . . . . . 0.455 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.096 -29.728 1 C1'-O4'-C4' 122.723 14.581 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear build full ' B' B ' 215' ' ' ' A' . . . . . 0.582 ' C5 ' ' HB2' ' A' ' 27' ' ' ASN . . . . . . . . 1 O4'--C4' 1.403 -4.207 2 C5'-C4'-O4' 97.94 -8.043 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear build full ' B' B ' 216' ' ' ' C' . . . . . 0.528 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.088 -30.388 2 C5'-C4'-O4' 134.568 18.12 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.594 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.177 -22.968 2 C5'-C4'-O4' 126.989 12.706 . 0.013 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 218' ' ' ' C' . . . . . 0.594 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.224 -19.071 2 C1'-O4'-C4' 120.788 12.432 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.546 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.395 -4.81 3 C1'-O4'-C4' 117.54 8.823 . 0.55 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.73 -36.48 81.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.84 -19.63 44.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -57.82 -36.6 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.752 ' CE1' HD13 ' A' ' 24' ' ' ILE . 7.7 t80 -60.44 -13.41 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.078 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.15 -13.07 15.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -59.26 -15.61 16.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.479 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 1.3 tm0? -55.86 -27.45 51.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -23.04 26.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 12' ' ' THR . 4.8 mmtt -131.67 41.32 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.4 m 82.59 123.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.931 HG11 HG23 ' A' ' 24' ' ' ILE . 2.8 p -97.35 -175.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.718 ' H ' HG22 ' A' ' 13' ' ' VAL . 3.6 tttt -125.78 108.57 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 31.3 t -70.4 115.34 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.36 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -82.72 14.86 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 111.072 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.562 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.5 t30 -114.5 -58.29 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -92.51 -29.02 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 100.8 -33.33 6.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.412 1.07 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -46.48 171.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HG3' ' CG2' ' A' ' 12' ' ' THR . 12.2 pt-20 -120.34 159.43 25.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.02 -30.78 7.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.566 1.167 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 15.9 p-80 -141.87 174.74 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.583 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.931 HG23 HG11 ' A' ' 13' ' ' VAL . 31.8 pt -122.12 159.18 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -52.43 -39.57 61.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.665 ' HD3' HD11 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -40.33 -28.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.462 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -151.41 57.77 0.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.645 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.8 t -72.27 146.09 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -91.97 18.22 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB1' ' HD3' ' A' ' 32' ' ' ARG . . . -68.26 113.16 13.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 51.03 2.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HD3' ' HB1' ' A' ' 30' ' ' ALA . 10.1 ptt-85 -108.07 152.33 24.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -96.14 -58.66 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -167.49 117.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -158.99 155.79 26.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' HIS . 47.0 t -74.06 107.72 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.38 11.99 15.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.017 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -39.04 8.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 p -108.4 -43.3 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 108.257 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.28 27.34 3.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.576 1.173 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.49 114.07 25.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -71.27 155.89 40.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.48 -30.09 8.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' CYS . 26.2 p-80 -132.16 -176.15 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 0.698 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.7 pt20 -129.83 170.2 14.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -54.65 -48.1 72.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -59.23 -15.85 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -123.67 29.04 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 19.4 t -72.87 150.38 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.307 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.0 p -88.34 -26.19 22.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.403 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.67 93.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.94 -20.99 51.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.11 -36.42 72.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 0.741 . . . . 0.0 109.271 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.734 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 1.9 t80 -59.85 -13.88 12.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 62.3 mtt180 -58.43 -15.65 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -56.8 -18.15 11.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.592 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 1.2 tt0 -55.47 -26.7 43.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -56.18 -27.59 55.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -127.64 36.78 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 3.4 m 79.4 123.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 0.0 110.468 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 14' ' ' LYS . 3.5 p -92.22 -176.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.737 ' H ' HG22 ' A' ' 13' ' ' VAL . 9.3 tttt -135.46 130.19 34.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -85.33 111.35 19.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -87.45 14.73 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.547 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 6.8 t30 -110.63 -48.59 3.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.02 -26.41 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.244 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 107.9 -47.46 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -38.29 141.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' CG ' ' HA ' ' A' ' 14' ' ' LYS . 3.1 mt-10 -103.12 158.13 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.434 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 115.59 -31.58 6.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 21.7 p-80 -135.04 179.28 6.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.568 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.734 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 26.5 pt -117.04 155.41 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.547 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -51.67 -37.43 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HE3' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -39.45 -30.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -148.8 57.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.64 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.4 t -70.25 149.44 47.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.189 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -57.43 -16.83 10.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -39.67 100.34 0.21 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.94 49.7 2.31 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.555 1.819 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.37 122.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 170.6 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.36 126.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.35 113.09 1.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' HIS . 43.7 t -67.6 108.03 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -91.78 20.82 5.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CB ' ' HB2' ' A' ' 46' ' ' MET . 3.2 tptt -109.25 -34.65 6.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 27.0 p -109.61 -33.55 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 108.298 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.06 27.85 8.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.0 137.94 53.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 0.756 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -91.93 164.67 13.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.95 13.06 67.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 5.8 p-80 -173.52 175.02 3.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 0.808 . . . . 0.0 109.627 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.45 ' OE1' ' CB ' ' A' ' 47' ' ' LYS . 1.6 pt20 -131.08 167.24 19.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.436 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 14.4 tmm? -53.38 -49.88 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' CB ' ' OE1' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -53.71 -21.9 8.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -125.01 37.91 4.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.497 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.0 t -70.91 163.83 26.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.8 p -117.0 -6.81 11.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -61.37 -43.66 98.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.36 -13.13 35.27 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 14.4 t-20 -57.58 -24.62 57.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.585 ' CE1' HD13 ' A' ' 24' ' ' ILE . 10.5 t80 -58.8 -14.3 8.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -55.91 -17.34 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.73 HD21 HG23 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -60.38 -12.97 10.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -55.02 -31.36 61.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -55.53 -18.02 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -130.28 43.76 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 11' ' ' LYS . 24.7 m 74.55 149.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.73 HG23 HD21 ' A' ' 8' ' ' ASN . 3.5 p -133.95 -176.55 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.722 ' H ' HG22 ' A' ' 13' ' ' VAL . 6.9 tttt -120.76 122.17 39.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.526 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 35.3 t -70.97 109.62 5.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.391 1.057 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 2.5 t80 -69.61 6.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.538 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 t30 -116.41 -82.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 17.5 p -63.46 -27.36 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 96.86 -36.21 4.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.58 148.3 3.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 2.1 pm0 -93.93 165.04 12.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.26 -33.27 5.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 25.2 p-80 -147.64 -177.32 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 109.6 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.837 HD11 ' HD2' ' A' ' 26' ' ' LYS . 22.9 pt -120.47 158.67 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.538 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -54.41 -37.09 64.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.837 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.21 -28.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -150.31 56.85 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.364 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.611 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.9 t -71.94 149.68 44.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.1 34.82 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.4 143.45 0.83 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 49.22 2.2 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.92 144.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -72.25 -59.94 2.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -129.8 116.94 19.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.14 148.18 19.31 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.587 1.179 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 42.8 t -75.71 105.94 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.13 13.0 12.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -100.63 -36.01 9.3 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HG ' ' HB3' ' A' ' 36' ' ' CYS . 28.4 p -110.83 -44.89 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.75 29.8 2.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.27 122.05 41.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -76.4 158.74 31.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.247 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.96 -27.45 16.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 25.7 p-80 -135.07 -177.23 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 0.78 . . . . 0.0 109.654 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 2.0 pt20 -128.6 173.08 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.462 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 9.3 tmm? -54.37 -51.16 65.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.067 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 2.1 mtpp -62.24 -11.77 16.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.11 23.14 11.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.2 t -71.94 156.68 38.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 108.285 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 t -145.28 21.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 4.9 mt-30 . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 53.5 pttt -60.79 -45.32 94.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 3' ' ' LYS . . . -60.4 -13.53 30.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 19.4 t-20 -56.61 -19.29 15.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.915 ' CE1' HD13 ' A' ' 24' ' ' ILE . 5.6 t80 -60.22 -14.84 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -11.77 16.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -60.84 -14.32 21.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.464 ' OE1' ' CE1' ' A' ' 6' ' ' PHE . 7.3 tt0 -55.22 -26.18 37.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -54.34 -24.59 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -131.96 42.84 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.3 m 83.82 123.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.457 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 14' ' ' LYS . 1.3 p -98.77 -174.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.635 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -135.17 127.9 31.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 39.0 t -90.25 116.09 27.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 1.138 . . . . 0.0 108.253 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.445 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.8 p90 -85.59 18.71 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.493 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 7.1 t30 -116.02 -54.07 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.6 p -94.3 -26.72 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.26 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.0 34.34 18.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -122.61 145.63 48.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.384 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 3.7 pt-20 -88.63 157.79 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.196 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.95 -32.64 5.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.633 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 17.0 p-80 -147.47 173.95 12.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.764 . . . . 0.0 109.572 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.915 HD13 ' CE1' ' A' ' 6' ' ' PHE . 13.3 pt -119.35 159.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.535 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.22 -38.39 62.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.719 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.73 -28.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.465 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -151.03 57.58 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.633 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.9 t -72.31 143.57 48.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.296 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 28.75 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.83 112.83 10.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 50.83 2.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.481 1.78 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.42 -179.77 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.15 48.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.8 mttp 70.04 113.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.64 152.26 21.83 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.48 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 43.5 t -71.0 105.99 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.77 14.72 9.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -102.83 -34.19 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.452 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 29.0 p -110.74 -44.85 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 108.298 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.0 29.72 2.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.08 116.1 25.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 8.7 pm0 -73.21 157.57 36.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.02 -30.25 8.52 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.433 1.083 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.506 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 25.8 p-80 -131.96 -174.28 3.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 0.781 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.9 pt20 -131.44 168.95 16.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -53.53 -41.25 66.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.474 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 2.7 tppt? -53.99 -28.48 38.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.28 30.23 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.506 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 22.7 t -48.44 141.86 6.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' GLU . 15.1 t -128.23 2.9 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.41 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -58.65 -40.51 83.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.57 -25.38 58.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -57.3 -35.77 70.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 0.719 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.502 ' CE2' HD13 ' A' ' 24' ' ' ILE . 5.0 t80 -58.22 -24.5 59.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -12.55 16.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -58.76 -16.44 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.419 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.68 -33.24 66.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -19.12 14.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -130.09 41.97 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.0 m 84.59 141.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.379 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.614 HG21 ' CG2' ' A' ' 24' ' ' ILE . 7.3 p -124.08 169.29 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.555 ' N ' HG22 ' A' ' 13' ' ' VAL . 5.6 tttt -116.3 125.01 51.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 29.6 t -87.67 115.08 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.247 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.7 p90 -82.75 14.26 3.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 4.6 t30 -113.69 -57.15 2.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HG ' ' CB ' ' A' ' 15' ' ' CYS . 19.9 p -93.65 -30.86 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 108.327 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 103.76 -36.73 4.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -48.35 175.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 109.303 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 12.3 pt-20 -124.98 162.07 25.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 114.96 -32.73 5.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.606 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 21.9 p-80 -139.64 -177.52 4.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.859 HD11 ' HD2' ' A' ' 26' ' ' LYS . 22.6 pt -122.87 158.23 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -52.46 -35.99 53.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.859 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.14 -31.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.492 ' CG ' ' HG2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -148.31 56.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 41.8 t -71.2 147.45 48.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.323 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 ptt85 -111.72 30.55 6.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.9 140.95 1.38 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 49.48 2.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -164.21 153.72 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -87.01 -70.46 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -133.79 116.8 16.14 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.451 1.095 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -156.59 159.17 29.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.465 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 47.7 t -76.44 106.72 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.36 14.04 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 107.97 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.15 -36.19 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.443 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 28.2 p -110.36 -43.38 3.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.588 1.18 . . . . 0.0 108.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.56 28.72 3.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 112.79 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.473 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 7.2 pt-20 -70.41 155.93 40.03 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.614 1.196 . . . . 0.0 110.227 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.94 -29.66 9.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 26.8 p-80 -131.82 -176.57 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.75 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.7 pt20 -131.45 167.66 18.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.8 ttp -53.34 -51.42 62.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -55.13 -18.37 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -125.31 38.58 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 36.2 t -82.64 149.21 27.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.1 p -81.09 -31.1 34.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.374 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -59.21 -30.64 68.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.9 -27.33 61.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.18 -24.87 60.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.776 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 66.1 t80 -60.42 -15.69 28.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -58.93 -15.9 15.14 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -58.19 -17.83 21.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.491 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 20.3 tt0 -57.67 -31.66 66.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.577 1.173 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.65 -25.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.417 1.073 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -111.54 -22.77 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.382 1.051 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.57 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 161.6 140.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.431 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.592 HG12 ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -121.48 172.85 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.083 . . . . 0.0 109.237 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.84 123.67 45.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 37.5 t -82.21 111.17 18.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.47 9.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 7.5 t30 -118.87 -81.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 21.0 p -63.37 -24.29 67.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 89.23 -30.01 5.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -49.16 177.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.5 pt-20 -122.28 161.18 23.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.244 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.07 -32.64 6.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 18.0 p-80 -145.07 174.6 10.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.604 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.776 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 8.0 pt -117.03 154.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -52.36 -36.42 53.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.606 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.85 -27.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.447 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -150.52 56.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.272 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.61 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 44.1 t -71.93 146.06 48.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -93.28 19.05 8.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.364 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.16 114.31 36.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 50.72 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -83.24 176.31 9.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -140.48 48.93 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 70.46 115.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.93 149.72 16.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' HIS . 42.4 t -70.3 104.29 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.09 16.69 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -105.52 -32.56 8.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.9 p -110.41 -44.47 3.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 108.241 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.07 30.12 2.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 111.062 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.46 117.97 26.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 12.3 pt-20 -75.87 166.56 23.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.48 -22.93 38.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.137 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 36' ' ' CYS . 20.6 p-80 -138.84 -173.38 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 0.813 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.5 pt20 -133.94 167.07 21.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -53.16 -42.81 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.86 -24.99 17.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -126.37 34.16 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.452 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 15.0 t -58.04 153.13 15.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.291 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.9 p -125.57 22.11 7.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -60.79 -41.66 96.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.098 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.37 -18.45 43.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -57.9 -35.48 71.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.87 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 3.1 t80 -59.77 -13.92 12.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -58.8 -15.29 11.64 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.594 HD21 HG23 ' A' ' 13' ' ' VAL . 1.4 p-10 -60.81 -13.96 18.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 4.1 tt0 -55.69 -30.78 61.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -55.45 -20.13 11.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -130.11 43.01 3.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.9 m 84.81 145.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -122.91 -175.22 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' N ' HG13 ' A' ' 13' ' ' VAL . 47.8 tttt -134.27 109.54 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 25.3 t -72.21 114.95 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 108.259 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.437 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.1 p90 -80.67 8.77 7.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 2.3 t30 -107.64 -64.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 19.1 p -83.23 -26.95 30.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 99.69 -36.43 4.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' GLY . 24.3 mttp -47.0 173.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -121.9 159.1 27.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.337 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.51 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 114.85 -32.55 5.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.663 ' N ' HG12 ' A' ' 13' ' ' VAL . 14.2 p-80 -141.87 173.01 11.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.58 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.87 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 28.4 pt -116.18 163.2 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.92 -37.32 63.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.671 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.44 -29.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.185 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -150.38 57.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 41.8 t -73.12 113.75 10.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -89.99 18.91 5.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -47.6 151.91 1.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 48.13 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 165.44 -179.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 18.34 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER 65.35 -173.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -153.08 -176.59 25.76 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.539 1.15 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.607 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 52.9 t -60.95 123.51 17.8 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.658 ' CE3' ' HE1' ' A' ' 46' ' ' MET . 14.7 m0 -70.7 -5.41 29.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -90.19 -76.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.607 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 18.2 p -67.85 -45.92 73.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 108.283 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.482 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . 97.43 43.56 2.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -117.67 126.33 52.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 0.747 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -73.37 147.31 44.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.86 -28.67 10.87 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 10.7 p-80 -132.22 160.61 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.75 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -120.42 177.15 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 110.245 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.658 ' HE1' ' CE3' ' A' ' 37' ' ' TRP . 69.5 mtm -54.52 -49.58 69.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -15.99 13.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -131.66 42.38 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 48.8 t -93.09 114.7 27.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.21 2.46 55.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -20.3 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.48 -17.94 42.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.79 -35.24 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CE1' HD13 ' A' ' 24' ' ' ILE . 3.7 t80 -59.14 -14.55 10.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -56.25 -17.5 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -60.48 -14.75 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.488 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 10.9 tm0? -55.96 -33.43 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -46.61 -23.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -110.52 -24.49 10.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 158.06 153.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.729 HG22 ' H ' ' A' ' 14' ' ' LYS . 2.6 p -143.24 -175.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.729 ' H ' HG22 ' A' ' 13' ' ' VAL . 3.7 tttt -131.1 129.33 41.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 34.6 t -94.18 111.48 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 108.321 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.29 10.08 9.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.454 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.4 t30 -103.68 -54.5 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -92.89 -35.88 13.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 108.352 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.15 35.12 5.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.52 148.22 50.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.184 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -90.17 160.03 16.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.48 -32.25 5.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 13.2 p-80 -148.88 174.71 11.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.65 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.85 HD11 ' HD2' ' A' ' 26' ' ' LYS . 23.9 pt -118.28 163.52 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.88 -38.54 64.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.85 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.19 -29.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.495 ' CG ' ' HG2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -150.17 57.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 49.5 t -73.93 146.22 44.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -33.29 69.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.209 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -39.55 103.02 0.27 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 49.9 2.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 68.64 146.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 173.83 72.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -40.17 113.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -173.64 146.04 8.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.416 1.072 . . . . 0.0 111.001 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 44' ' ' HIS . 51.0 t -69.3 104.7 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.75 18.64 4.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 107.974 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.83 -32.15 7.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.2 p -110.2 -44.68 3.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.09 29.85 2.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.21 118.57 28.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 0.72 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.473 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -77.1 161.39 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.17 -26.88 20.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 36' ' ' CYS . 21.6 p-80 -134.41 -172.85 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.459 ' OE1' ' CG ' ' A' ' 47' ' ' LYS . 2.2 pt20 -134.23 172.25 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.2 ttp -54.83 -48.55 72.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.459 ' CG ' ' OE1' ' A' ' 45' ' ' GLN . 27.0 mttm -62.34 -11.88 17.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.54 22.23 9.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.0 t -71.32 155.08 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.329 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.6 p -93.2 -21.52 19.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.245 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -58.76 -40.78 84.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.64 -24.95 57.8 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -58.45 -35.6 72.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.574 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 19.8 t80 -60.13 -13.25 11.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -60.77 -12.51 10.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.787 HD21 HG23 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -59.74 -13.62 10.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -55.2 -33.78 63.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.392 1.058 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -18.4 8.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 12' ' ' THR . 4.8 mttt -128.13 42.51 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.607 HG23 ' HA2' ' A' ' 22' ' ' GLY . 25.0 m 74.65 149.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.806 HG11 HG23 ' A' ' 24' ' ' ILE . 1.1 p -121.3 -174.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.621 ' H ' HG22 ' A' ' 13' ' ' VAL . 10.0 tttt -121.58 116.61 24.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 34.7 t -81.44 106.65 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.336 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.02 0.69 12.88 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.504 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 5.4 t30 -98.23 -76.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -70.66 -31.84 68.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 108.267 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 105.03 -31.46 8.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' GLY . 3.6 ttmt -51.71 -176.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -131.58 157.83 42.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.607 ' HA2' HG23 ' A' ' 12' ' ' THR . . . 116.48 -33.89 4.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.632 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 25.3 p-80 -137.77 178.77 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 0.803 . . . . 0.0 109.562 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.806 HG23 HG11 ' A' ' 13' ' ' VAL . 25.9 pt -121.19 160.89 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -54.32 -37.73 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.635 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.14 -29.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.459 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -150.73 57.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.632 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.2 t -69.85 151.0 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 108.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -109.2 30.24 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.53 151.93 0.24 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 48.29 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.431 1.753 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.469 ' HD3' ' CG ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER 171.22 167.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -67.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -124.55 130.58 52.72 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -160.82 147.35 13.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' HIS . 52.7 t -72.25 105.66 4.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.56 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.54 19.91 4.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -109.76 -30.81 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.7 p -110.9 -43.66 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.74 31.12 2.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -125.63 125.2 42.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 0.825 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.469 ' CG ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -82.16 167.55 18.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.6 9.06 65.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' CYS . 13.8 p-80 -171.0 -176.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.63 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.515 ' CD ' ' HB2' ' A' ' 47' ' ' LYS . 2.7 pt20 -135.04 170.52 15.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.403 ' SD ' ' HG3' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -50.38 -37.47 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HB2' ' CD ' ' A' ' 45' ' ' GLN . 2.4 mttt -57.08 -39.97 76.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -109.28 31.88 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.439 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 7.6 t -58.73 159.36 6.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 108.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 t -140.17 14.1 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.268 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 15.0 pttt -58.74 -40.76 84.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 3' ' ' LYS . . . -58.78 -24.95 58.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -57.33 -35.4 69.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.506 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 1.7 t80 -59.07 -23.34 61.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -60.69 -14.2 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.728 HD21 HG23 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -61.4 -14.26 26.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.416 HE22 HG11 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -55.52 -24.58 32.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.624 1.203 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -56.14 -24.97 44.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -124.42 34.08 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.1 m 83.21 156.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.741 HG22 ' H ' ' A' ' 14' ' ' LYS . 3.6 p -129.2 -176.65 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.741 ' H ' HG22 ' A' ' 13' ' ' VAL . 9.8 tttm -137.93 127.78 25.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 25' ' ' ALA . 33.3 t -80.22 117.43 21.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -83.6 14.34 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.606 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.5 t30 -114.8 -51.92 2.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -100.43 -34.42 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.277 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 109.48 -41.84 2.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.78 150.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -103.13 160.02 15.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 111.68 -31.22 7.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.695 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 4.4 p-80 -139.96 -176.72 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.586 HD11 ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -128.76 165.02 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.606 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -55.21 -52.57 62.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.586 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.98 -25.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.531 HD21 HG23 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.87 58.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.695 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 42.2 t -80.64 136.27 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.248 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ALA . 35.6 mtp180 -56.81 -30.83 64.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -38.94 141.04 0.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 -32.61 5.1 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 6.1 tmm_? 72.15 132.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 7.4 tttm -169.93 46.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' LYS . 13.3 mttt 59.03 112.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 44' ' ' HIS . . . -168.29 128.68 1.75 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' HIS . 49.8 t -71.63 105.41 3.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.628 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.75 16.87 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -105.24 -33.37 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.469 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 28.7 p -109.01 -44.56 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 108.241 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.15 30.65 2.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -119.66 129.81 54.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 0.725 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.98 162.31 18.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.76 -24.52 31.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 17.2 p-80 -136.39 -174.74 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.644 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.443 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 1.4 pt20 -134.47 172.01 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttm -54.79 -47.0 74.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.443 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 1.7 mmpt? -61.24 -12.91 14.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.09 23.79 7.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.2 t -65.98 154.44 39.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 108.295 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 p -99.19 -21.97 15.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 18.6 mt-30 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -46.21 91.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.98 -12.0 34.21 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 4.9 t30 -60.96 -15.33 30.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.615 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 6.1 t80 -59.17 -14.28 10.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -58.2 -14.97 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -60.25 -13.33 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HG2' ' CG1' ' A' ' 13' ' ' VAL . 4.9 tm0? -54.33 -28.7 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -54.54 -18.96 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 12' ' ' THR . 7.1 ttmt -136.18 44.27 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.552 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.0 m 85.68 142.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.667 HG21 ' CG2' ' A' ' 24' ' ' ILE . 7.7 p -127.53 169.3 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' N ' HG22 ' A' ' 13' ' ' VAL . 16.0 tttt -113.24 110.46 20.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 34.3 t -63.49 107.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 108.336 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 3.4 t80 -71.12 3.63 3.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.544 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 4.0 t30 -107.3 -80.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -66.61 -31.91 72.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 105.13 -38.69 3.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.589 1.18 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -50.7 156.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 12.3 pt-20 -101.99 164.66 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.79 -33.31 5.27 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.604 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.7 p-80 -145.19 -178.39 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 0.821 . . . . 0.0 109.602 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.667 ' CG2' HG21 ' A' ' 13' ' ' VAL . 37.2 pt -121.77 162.76 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.544 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -54.06 -40.59 67.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.473 ' HE2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -39.69 -28.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -150.11 58.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.604 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.3 t -75.88 136.98 40.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -31.69 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -45.46 152.66 0.64 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 48.12 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.768 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -86.38 -177.68 6.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.371 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER 90.48 -17.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.6 31.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -154.07 142.94 9.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.548 ' CB ' ' HG ' ' A' ' 39' ' ' CYS . 43.7 t -71.62 107.19 4.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.631 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.45 16.33 7.78 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 1.6 tttp -105.76 -33.23 8.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.548 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 29.9 p -112.48 -44.76 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 108.279 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.21 31.93 2.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 14.4 mttt -120.16 120.69 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 161.21 28.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.84 -2.09 56.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.578 1.174 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' CYS . 16.2 p-80 -161.95 -177.6 5.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 0.768 . . . . 0.0 109.603 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.482 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 3.0 pt20 -129.56 171.76 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 47' ' ' LYS . 1.9 ppp? -58.67 -32.5 69.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.482 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -64.03 -14.9 57.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -133.97 29.01 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 8.9 t -57.63 144.62 36.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t -118.98 13.45 13.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -57.64 -35.81 71.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.72 -15.04 32.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -58.03 -34.77 70.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' A' ' 24' ' ' ILE . 1.9 t80 -60.65 -13.72 16.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -61.75 -13.13 20.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -60.34 -15.23 23.67 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -56.26 -33.36 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -55.56 -23.05 24.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.94 42.51 3.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m 71.35 121.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.742 HG11 HG23 ' A' ' 24' ' ' ILE . 1.4 p -94.56 -175.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.644 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -135.27 117.47 15.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 30.5 t -74.76 112.17 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.81 3.36 33.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 2.5 t30 -96.23 -56.3 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -91.84 -35.0 14.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 113.39 -36.98 3.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -48.59 175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.97 162.88 24.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 111.55 -30.44 7.85 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.069 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 11.3 p-80 -142.0 174.42 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.615 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.742 HG23 HG11 ' A' ' 13' ' ' VAL . 43.7 pt -117.0 164.86 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.44 -38.17 65.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' CD ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.9 -27.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.359 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -150.83 57.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 52.9 t -76.09 107.71 8.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 108.26 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -84.86 11.93 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.615 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -39.34 99.79 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.07 -2.09 12.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 170.93 176.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 88.86 -14.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -49.61 117.36 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -148.16 163.71 28.92 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' HIS . 36.3 t -76.62 116.04 16.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -87.85 35.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.125 . . . . 0.0 107.985 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.94 -43.35 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.3 p -101.82 -31.15 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.251 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.13 28.2 11.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.43 125.8 51.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.441 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -82.07 157.18 24.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.16 8.49 56.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.566 1.167 . . . . 0.0 111.027 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.9 p-80 -170.02 172.61 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.624 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 2.9 pt20 -128.59 169.18 14.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.0 ttp -53.64 -42.09 67.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.59 -24.51 14.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.377 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.91 44.03 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.1 t -69.69 158.29 35.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.344 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.8 p -115.61 -6.42 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.414 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -38.04 89.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 7' ' ' ARG . . . -55.69 -16.35 11.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -56.68 -40.56 75.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 3.5 t80 -59.82 -14.37 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 9.4 ttm180 -57.68 -16.98 12.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.793 HD21 HG23 ' A' ' 13' ' ' VAL . 1.1 p-10 -61.56 -14.02 26.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.567 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 6.6 tt0 -56.35 -28.63 59.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -20.04 18.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -128.73 41.59 3.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.508 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.2 m 83.05 151.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 110.359 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.793 HG23 HD21 ' A' ' 8' ' ' ASN . 0.5 OUTLIER -133.92 -175.29 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' H ' HG22 ' A' ' 13' ' ' VAL . 4.6 ttpt -130.21 122.4 28.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 24.6 t -85.72 113.73 22.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 108.335 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.474 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -82.81 9.21 10.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.977 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.508 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 4.8 t30 -105.76 -57.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.1 p -91.86 -31.89 15.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 108.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 106.03 -36.14 4.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLY . 5.9 mptt -47.4 173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' OE1' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -121.88 161.48 22.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 112.52 -31.28 6.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.066 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.637 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.1 p-80 -142.12 -179.69 6.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.728 HG23 HG11 ' A' ' 13' ' ' VAL . 36.4 pt -124.87 162.73 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.528 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -52.73 -40.37 62.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HE3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -39.93 -28.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 109.253 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -151.17 58.37 0.9 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 45.0 t -74.06 145.2 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -94.06 21.29 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.86 109.28 1.55 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 50.72 2.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 21.7 mtt180 58.68 114.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.218 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 164.13 54.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -39.86 120.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.96 110.97 1.63 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' CB ' ' HG ' ' A' ' 39' ' ' CYS . 42.1 t -65.93 107.3 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -89.46 10.88 21.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.16 . . . . 0.0 108.007 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -37.07 10.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 26.6 p -107.49 -41.07 5.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 108.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.38 28.92 4.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -118.92 140.09 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -92.6 165.99 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.217 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.8 -8.73 76.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.964 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.483 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 11.4 p-80 -153.1 -179.5 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.617 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.506 ' OE1' ' CG ' ' A' ' 47' ' ' LYS . 4.3 pt20 -134.31 172.9 12.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -54.8 -47.74 73.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.506 ' CG ' ' OE1' ' A' ' 45' ' ' GLN . 3.2 mmpt? -58.47 -17.23 19.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.35 28.87 6.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.483 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.1 t -64.46 157.99 25.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 108.26 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.4 p -116.93 -10.43 10.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.356 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -37.12 72.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.22 -18.32 41.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -57.84 -36.02 71.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.388 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.2 t80 -60.56 -13.52 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -13.21 19.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -61.12 -14.77 26.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' OE1' ' CE1' ' A' ' 6' ' ' PHE . 1.8 tt0 -55.71 -27.47 50.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -25.08 33.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -130.01 41.18 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.243 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.6 m 81.59 123.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.702 HG22 ' H ' ' A' ' 14' ' ' LYS . 2.7 p -90.4 -175.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.702 ' H ' HG22 ' A' ' 13' ' ' VAL . 11.0 ttpp -127.3 114.91 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 24.7 t -78.2 112.95 15.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -82.64 8.3 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.492 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 3.2 t30 -104.5 -57.3 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.6 p -92.82 -33.52 14.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 108.237 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.7 -37.28 3.89 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.9 172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 0.726 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -120.89 161.05 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.487 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 113.23 -31.9 6.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.115 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 9.2 p-80 -142.63 174.62 10.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.56 HG23 HG11 ' A' ' 13' ' ' VAL . 6.2 pt -118.21 164.7 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.96 -38.92 65.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.504 ' HE3' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.2 -27.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -151.01 57.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 49.5 t -77.28 106.76 9.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.76 7.56 14.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.6 1.187 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -39.76 100.01 0.21 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 18.4 Cg_endo -75.06 -3.78 14.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.588 1.836 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 172.82 115.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 1.3 mttp 165.03 -30.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -38.5 116.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -153.22 151.03 22.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' HIS . 41.9 t -68.74 106.97 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -89.94 13.68 14.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CD ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -101.1 -34.74 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 28.4 p -109.44 -42.16 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.318 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.35 28.47 3.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -120.06 119.43 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.474 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 6.6 pt-20 -77.89 159.33 28.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.13 -26.43 22.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' CYS . 18.1 p-80 -134.22 -175.84 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 0.785 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 2.5 pt20 -131.49 164.22 26.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.436 ' SD ' ' CD ' ' A' ' 38' ' ' LYS . 39.4 ttp -53.5 -50.42 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -54.69 -19.86 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -124.57 37.88 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 13.9 t -76.45 153.57 35.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.405 1.066 . . . . 0.0 108.295 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.8 p -90.89 -23.67 20.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.366 1.041 . . . . 0.0 110.4 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.294 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -59.44 -42.41 91.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.51 53.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -61.87 -35.99 79.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.772 ' HE1' HG21 ' A' ' 24' ' ' ILE . 24.9 t80 -59.27 -13.51 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -57.49 -15.16 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.767 HD21 HG23 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -59.89 -13.26 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.84 -31.92 60.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -18.4 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.5 tptt -129.5 43.16 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.574 HG22 ' HB2' ' A' ' 21' ' ' GLU . 24.8 m 74.7 152.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.767 HG23 HD21 ' A' ' 8' ' ' ASN . 0.8 OUTLIER -125.55 -172.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.586 ' H ' HG22 ' A' ' 13' ' ' VAL . 9.2 ttpt -125.25 119.91 29.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.5 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 38.1 t -75.57 108.46 8.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 108.206 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 11.8 t80 -71.16 11.69 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.532 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 4.9 t30 -120.66 -82.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 17' ' ' ASN . 16.9 p -66.28 -24.56 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 108.27 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 95.79 -37.05 3.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 15' ' ' CYS . 6.5 mttt -45.5 149.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HB2' HG22 ' A' ' 12' ' ' THR . 5.4 pm0 -99.28 151.06 21.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.495 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 126.89 -30.63 4.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.656 ' N ' HG12 ' A' ' 13' ' ' VAL . 16.7 p-80 -148.77 175.68 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.616 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.772 HG21 ' HE1' ' A' ' 6' ' ' PHE . 38.6 pt -112.47 162.21 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -56.52 -38.67 72.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.26 -28.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -149.35 57.45 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.629 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 50.5 t -72.87 119.36 17.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 108.372 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.43 -27.25 69.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.533 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -38.74 99.43 0.19 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.99 49.22 2.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.769 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -60.82 177.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.32 47.5 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt 70.04 113.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.403 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -165.37 150.87 19.16 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.568 1.167 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 44.2 t -71.38 105.04 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.97 15.62 8.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.79 -33.57 8.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.7 p -110.16 -44.46 3.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 108.301 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.01 29.59 2.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -121.95 117.44 26.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -75.06 161.42 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.7 -27.05 19.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.8 p-80 -134.61 -173.73 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.598 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.465 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.8 pt20 -133.31 168.74 18.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.2 ttp -53.17 -41.7 65.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -54.13 -28.08 37.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.37 31.4 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 18.8 t -50.89 151.8 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.382 1.051 . . . . 0.0 108.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -110.73 -20.12 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.246 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -30.32 70.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.9 -24.2 53.32 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.521 1.138 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -57.53 -37.33 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.636 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 1.9 t80 -60.12 -14.55 17.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -58.47 -16.14 13.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.409 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.2 p-10 -61.22 -14.67 27.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -56.81 -31.18 64.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -57.68 -19.31 25.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -126.81 39.74 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.605 1.19 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.4 m 81.95 149.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.768 HG21 ' CG2' ' A' ' 24' ' ' ILE . 10.8 p -135.4 172.29 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.558 ' H ' HG22 ' A' ' 13' ' ' VAL . 8.4 ttmt -122.2 129.08 51.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.7 t -88.82 111.42 22.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.04 13.58 5.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 2.9 t30 -108.21 -55.63 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -99.67 -24.77 14.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 108.343 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.28 -42.14 1.97 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.77 161.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 0.721 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -113.9 174.72 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.61 -22.24 41.92 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.599 1.187 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 12.2 p-80 -149.44 173.59 13.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.509 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.768 ' CG2' HG21 ' A' ' 13' ' ' VAL . 39.4 pt -116.41 161.96 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.416 1.073 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.55 -38.89 64.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' CD ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.51 -28.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.375 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -150.52 57.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.62 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.2 t -74.35 148.73 41.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 0.0 108.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.67 36.36 4.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.42 153.06 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.92 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 160.59 14.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -39.18 77.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.78 125.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -114.54 108.24 1.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.417 ' CB ' ' HG ' ' A' ' 39' ' ' CYS . 48.8 t -61.42 108.32 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -90.29 12.59 17.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.612 1.195 . . . . 0.0 107.959 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.96 -39.5 8.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.417 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 25.6 p -106.23 -36.95 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 108.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.14 26.96 6.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.75 139.04 49.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 157.88 16.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.19 -23.37 35.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.494 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 9.7 p-80 -137.2 -177.4 4.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 109.628 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 2.9 pt20 -137.91 169.45 17.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -53.26 -40.87 64.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.98 -29.73 57.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -124.63 39.33 4.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.494 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 8.7 t -62.91 157.96 20.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.317 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.6 t -137.15 16.81 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.347 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -57.27 -33.36 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' A' ' 3' ' ' LYS . . . -59.51 -20.29 50.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -58.33 -35.18 71.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 t80 -60.08 -13.95 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -58.78 -15.57 12.82 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.43 -16.76 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.11 -29.87 61.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -25.13 52.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' THR . 8.4 pttt -127.57 39.26 3.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 4.0 m 77.39 122.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.45 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.896 HG11 HG23 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -94.33 -174.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' H ' HG22 ' A' ' 13' ' ' VAL . 22.0 tttm -131.42 118.77 20.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 t -81.37 113.13 19.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.66 9.36 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -105.78 -56.49 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -92.91 -30.62 15.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 108.335 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.19 -36.9 4.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.19 172.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.28 166.33 15.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.98 -27.18 18.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 7.8 p-80 -145.96 163.88 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.896 HG23 HG11 ' A' ' 13' ' ' VAL . 41.3 pt -108.35 161.24 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.539 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.18 -36.2 60.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.61 -28.66 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.458 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -150.06 56.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.64 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 47.5 t -72.14 149.01 45.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' HG2' ' CE1' ' A' ' 23' ' ' HIS . 13.2 ptt-85 -114.79 33.09 5.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -38.78 154.04 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.6 8.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.486 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 2.4 mtt180 70.9 120.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 32' ' ' ARG . 1.3 tptm 175.28 72.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' LYS . 1.1 mttm -38.21 114.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.516 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -166.25 163.94 37.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 49.9 t -73.41 108.38 6.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.51 18.38 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 107.944 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -110.72 -34.01 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.484 ' HG ' ' HG ' ' A' ' 36' ' ' CYS . 29.4 p -115.82 -41.24 3.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 108.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.89 -40.38 1.75 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 118.93 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.1 pm0 -82.69 175.15 10.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.38 -14.2 55.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.036 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 8.9 p-80 -138.59 -179.71 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.545 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.427 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.9 pt20 -132.79 166.43 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.464 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 28.4 ttp -53.44 -49.55 67.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -55.68 -18.14 7.33 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 0.0 109.212 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.36 35.11 4.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 14.9 t -73.39 147.49 44.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 t -128.18 22.53 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -40.49 83.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.81 -25.29 58.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.612 1.195 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.87 -35.35 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 0.717 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.588 ' CE1' HD13 ' A' ' 24' ' ' ILE . 11.7 t80 -60.04 -13.84 13.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -59.42 -14.94 14.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.513 HD21 HG23 ' A' ' 13' ' ' VAL . 1.1 p-10 -61.24 -14.07 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.538 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 2.3 tt0 -56.21 -29.35 60.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -20.66 20.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 12' ' ' THR . 14.9 mttt -128.19 41.53 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.1 m 83.55 150.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.439 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.715 HG22 ' H ' ' A' ' 14' ' ' LYS . 2.8 p -125.77 -175.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.715 ' H ' HG22 ' A' ' 13' ' ' VAL . 7.0 ttpt -130.34 122.12 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 t -89.44 112.97 24.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 1.1 p90 -82.72 7.05 16.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.2 t30 -102.9 -58.17 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -91.45 -32.7 15.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 108.267 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.25 -36.63 4.27 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.69 175.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 0.727 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.3 159.84 30.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.707 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 114.35 -32.31 5.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.609 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 12.2 p-80 -140.05 170.41 15.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 0.786 . . . . 0.0 109.641 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.845 HD11 ' HD2' ' A' ' 26' ' ' LYS . 20.7 pt -113.12 162.22 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.372 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.55 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.6 -36.1 64.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.845 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.96 -28.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.492 ' CG ' ' HG2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -150.11 56.8 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.609 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 47.4 t -73.13 147.72 44.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 108.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -125.16 36.49 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.29 133.78 94.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.22 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 50.42 2.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.35 146.42 47.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 0.0 110.31 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -93.06 -74.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -151.13 115.78 5.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -159.05 152.89 24.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' HIS . 42.1 t -71.75 104.84 3.53 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.36 15.74 8.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 107.989 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -104.17 -33.44 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 30.4 p -110.45 -44.4 3.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.93 29.86 2.48 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.8 117.25 25.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 13.9 pt-20 -74.57 164.88 26.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.64 -24.34 31.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.568 1.168 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.2 p-80 -137.51 -174.31 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.448 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.8 pt20 -132.94 168.82 17.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -53.73 -43.02 68.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.62 -24.86 23.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -126.02 32.81 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.391 1.057 . . . . 0.0 109.337 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.486 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 18.1 t -56.28 151.39 12.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.247 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 p -127.18 24.65 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.456 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 4.0 ptmm? -59.82 -43.32 94.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.54 -20.05 44.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -62.73 -37.53 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.76 ' CE1' HD13 ' A' ' 24' ' ' ILE . 3.9 t80 -60.23 -14.3 17.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 7.7 mmt85 -59.35 -15.22 15.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -59.55 -16.17 23.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 1.8 tt0 -56.68 -29.49 62.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -25.11 47.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -128.09 39.89 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 3.9 m 77.63 123.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.713 HG11 HG23 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -93.75 -175.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.564 ' H ' HG22 ' A' ' 13' ' ' VAL . 1.8 ttpm? -136.74 120.39 17.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 t -78.07 111.81 14.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 108.322 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -83.58 8.16 15.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 6.6 t30 -102.74 -56.45 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -92.3 -32.47 15.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.338 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 109.75 -37.2 3.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -46.58 171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -122.61 160.62 25.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.494 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 112.74 -31.23 6.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 15.3 p-80 -140.72 174.34 10.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.62 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.76 HD13 ' CE1' ' A' ' 6' ' ' PHE . 36.6 pt -117.59 162.61 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.02 -37.78 64.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.61 -28.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -150.77 57.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.9 t -72.54 131.82 43.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.328 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' PRO . 1.9 ttt180 -65.66 -34.29 77.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -39.07 99.7 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.5 Cg_endo -74.91 49.02 2.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -75.04 117.94 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 5.2 ptpt -66.49 -53.87 30.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 4.2 mttt -173.21 115.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -160.62 151.32 21.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.503 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 43.8 t -77.2 107.27 9.46 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.32 14.31 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.014 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -102.07 -36.88 8.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.4 1.062 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.409 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 27.3 p -109.08 -42.25 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 108.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.4 28.47 3.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 116.68 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.7 155.88 38.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.0 -30.0 8.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.503 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 27.4 p-80 -131.17 -176.33 3.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 109.567 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.434 ' NE2' ' CB ' ' A' ' 47' ' ' LYS . 1.3 pt20 -132.47 169.13 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ttt -53.35 -51.11 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' CB ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -55.53 -18.1 6.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -125.61 37.38 4.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.9 t -80.51 148.8 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -139.75 29.56 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -58.08 -27.5 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.46 -16.98 38.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -57.75 -35.32 70.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 109.371 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.701 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -59.16 -14.25 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -17.64 9.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.83 -14.79 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.89 -31.79 63.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -58.31 -24.97 61.28 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 12' ' ' THR . 2.1 mmtp -119.72 26.02 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 22' ' ' GLY . 1.7 m 83.66 126.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 23' ' ' HIS . 1.1 p -89.27 -172.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.634 ' H ' HG22 ' A' ' 13' ' ' VAL . 11.5 tttm -129.79 110.41 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 35.3 t -74.99 113.17 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 61.3 t80 -80.99 16.5 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.556 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 3.9 t30 -115.8 -66.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -82.99 -16.99 45.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 108.328 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 76.84 20.0 76.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -171.7 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' OE1' HG21 ' A' ' 12' ' ' THR . 11.3 pt-20 -133.59 150.25 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.581 ' N ' HG22 ' A' ' 12' ' ' THR . . . 111.02 -31.46 7.23 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.651 ' N ' HG12 ' A' ' 13' ' ' VAL . 16.1 p-80 -140.38 167.32 22.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 0.714 . . . . 0.0 109.556 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.701 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 7.0 pt -115.88 156.46 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.556 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -53.29 -37.0 61.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.66 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.43 -28.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.603 1.189 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -149.83 56.56 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.617 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.6 t -69.8 154.63 41.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 108.286 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.54 21.39 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.1 116.53 55.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 50.84 2.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.428 1.752 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -106.84 135.55 48.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.16 -72.66 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -150.78 114.68 5.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.13 154.0 24.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.487 ' CB ' ' HG ' ' A' ' 39' ' ' CYS . 42.3 t -73.19 105.34 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.98 15.92 7.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 108.032 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -34.53 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.487 ' HG ' ' CB ' ' A' ' 36' ' ' CYS . 29.6 p -110.16 -44.38 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.86 29.57 2.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.155 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.88 115.0 22.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -73.15 159.98 32.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.19 -27.33 17.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.484 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.6 p-80 -134.31 -174.65 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.75 . . . . 0.0 109.569 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.7 pt20 -132.71 168.26 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.42 1.075 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 ttp -53.35 -43.36 67.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.449 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.73 -25.38 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.22 34.61 4.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 19.0 t -58.25 151.31 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 108.287 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.6 p -88.2 -26.09 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.474 0.178 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.74 153.07 29.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.73 -36.48 81.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.84 -19.63 44.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -57.82 -36.6 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.752 ' CE1' HD13 ' A' ' 24' ' ' ILE . 7.7 t80 -60.44 -13.41 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.078 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.15 -13.07 15.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -59.26 -15.61 16.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.479 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 1.3 tm0? -55.86 -27.45 51.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -23.04 26.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 12' ' ' THR . 4.8 mmtt -131.67 41.32 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.4 m 82.59 123.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.931 HG11 HG23 ' A' ' 24' ' ' ILE . 2.8 p -97.35 -175.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.718 ' H ' HG22 ' A' ' 13' ' ' VAL . 3.6 tttt -125.78 108.57 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 31.3 t -70.4 115.34 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.36 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -82.72 14.86 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 111.072 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.562 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.5 t30 -114.5 -58.29 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -92.51 -29.02 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 100.8 -33.33 6.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.412 1.07 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -46.48 171.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HG3' ' CG2' ' A' ' 12' ' ' THR . 12.2 pt-20 -120.34 159.43 25.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.02 -30.78 7.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.566 1.167 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 15.9 p-80 -141.87 174.74 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.583 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.931 HG23 HG11 ' A' ' 13' ' ' VAL . 31.8 pt -122.12 159.18 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -52.43 -39.57 61.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.665 ' HD3' HD11 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -40.33 -28.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.584 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.2 OUTLIER -151.41 57.77 0.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.645 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.8 t -72.27 146.09 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -91.97 18.22 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB1' ' HD3' ' A' ' 32' ' ' ARG . . . -68.26 113.16 13.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 51.03 2.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HD3' ' HB1' ' A' ' 30' ' ' ALA . 10.1 ptt-85 -108.07 152.33 24.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -96.14 -58.66 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -167.49 117.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -158.99 155.79 26.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' HIS . 47.0 t -74.06 107.72 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.38 11.99 15.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.017 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -39.04 8.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 p -108.4 -43.3 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 108.257 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.28 27.34 3.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.576 1.173 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.49 114.07 25.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -71.27 155.89 40.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.48 -30.09 8.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' CYS . 26.2 p-80 -132.16 -176.15 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 0.698 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.7 pt20 -129.83 170.2 14.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.407 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 12.0 tmm? -54.65 -48.1 72.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 0.0 111.037 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -59.23 -15.85 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -123.67 29.04 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 19.4 t -72.87 150.38 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.307 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.0 p -88.34 -26.19 22.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.403 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.84 56.56 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HE ' ' NE2' ' A' ' 53' ' ' GLN . 6.3 ttp180 -96.94 79.4 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' NE2' ' HE ' ' A' ' 52' ' ' ARG . 13.9 pm0 38.33 49.13 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.05 119.4 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -94.41 -156.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.62 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.62 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.24 -17.776 3 C1'-O4'-C4' 116.24 7.378 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.565 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.343 -9.192 1 O4'-C4'-C3' 95.087 -7.438 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.551 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.321 -11.032 3 C5'-C4'-O4' 125.344 11.531 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.551 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.152 2 C5'-C4'-O4' 134.726 18.233 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.524 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.24 -17.721 2 C5'-C4'-O4' 125.875 11.911 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.524 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.408 3 C5'-C4'-O4' 128.74 13.957 . 0.404 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.656 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.094 -29.915 2 C1'-O4'-C4' 123.193 15.103 . 0.017 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.496 " H3'" " H4'" ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.179 3 C5'-C4'-O4' 149.245 28.604 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.433 ' OP1' " C4'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.293 -13.31 2 C5'-C4'-O4' 127.932 13.38 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.599 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.073 -31.665 1 C1'-O4'-C4' 123.241 15.156 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.656 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.934 3 C5'-C4'-O4' 139.63 21.736 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.534 " H4'" " O2'" ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.164 -24.053 2 C5'-C4'-O4' 128.387 13.705 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.472 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.129 -27.04 2 C5'-C4'-O4' 135.136 18.526 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.671 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.402 -4.237 1 C1'-O4'-C4' 114.354 5.283 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.671 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.096 -29.753 2 C5'-C4'-O4' 136.275 19.34 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.577 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.145 -25.687 2 C5'-C4'-O4' 130.973 15.552 . 0.346 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.577 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.281 -14.315 3 C1'-O4'-C4' 119.326 10.806 . 0.347 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.537 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.385 -5.642 2 C1'-O4'-C4' 117.038 8.265 . 0.528 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.434 0.159 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -80.07 171.43 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.251 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.67 93.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.94 -20.99 51.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.11 -36.42 72.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 0.741 . . . . 0.0 109.271 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.734 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 1.9 t80 -59.85 -13.88 12.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 62.3 mtt180 -58.43 -15.65 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -56.8 -18.15 11.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.592 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 1.2 tt0 -55.47 -26.7 43.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -56.18 -27.59 55.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -127.64 36.78 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 3.4 m 79.4 123.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 0.0 110.468 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 14' ' ' LYS . 3.5 p -92.22 -176.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.737 ' H ' HG22 ' A' ' 13' ' ' VAL . 9.3 tttt -135.46 130.19 34.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -85.33 111.35 19.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -87.45 14.73 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.547 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 6.8 t30 -110.63 -48.59 3.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.02 -26.41 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.244 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 107.9 -47.46 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -38.29 141.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' CG ' ' HA ' ' A' ' 14' ' ' LYS . 3.1 mt-10 -103.12 158.13 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.434 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 115.59 -31.58 6.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 21.7 p-80 -135.04 179.28 6.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.568 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.734 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 26.5 pt -117.04 155.41 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.547 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -51.67 -37.43 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HE3' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -39.45 -30.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.458 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -148.8 57.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.64 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.4 t -70.25 149.44 47.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.189 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -57.43 -16.83 10.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -39.67 100.34 0.21 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.94 49.7 2.31 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.555 1.819 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' NH2' H5'' ' B' ' 206' ' ' ' C' . 0.0 OUTLIER 73.37 122.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 170.6 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.505 ' CG ' ' O4 ' ' B' ' 210' ' ' ' U' . 0.2 OUTLIER 62.36 126.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.347 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.35 113.09 1.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.447 ' HA ' ' O6 ' ' B' ' 209' ' ' ' G' . 43.7 t -67.6 108.03 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.803 ' CZ2' ' C5 ' ' B' ' 209' ' ' ' G' . 0.5 OUTLIER -91.78 20.82 5.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CB ' ' HB2' ' A' ' 46' ' ' MET . 3.2 tptt -109.25 -34.65 6.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.0 p -109.61 -33.55 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 108.298 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.06 27.85 8.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.0 137.94 53.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 0.756 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -91.93 164.67 13.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.95 13.06 67.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 5.8 p-80 -173.52 175.02 3.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 0.808 . . . . 0.0 109.627 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.556 ' HB2' ' C5 ' ' B' ' 209' ' ' ' G' . 1.6 pt20 -131.08 167.24 19.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.457 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 14.4 tmm? -53.38 -49.88 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.466 ' CD ' " H5'" ' B' ' 209' ' ' ' G' . 0.4 OUTLIER -53.71 -21.9 8.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -125.01 37.91 4.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.497 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.0 t -70.91 163.83 26.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.8 p -117.0 -6.81 11.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -59.18 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.18 161.02 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.16 148.61 28.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.14 149.44 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -171.38 148.42 2.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.793 ' HB ' " H5'" ' B' ' 201' ' ' CG1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.548 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.365 -7.305 2 O4'-C4'-C3' 93.886 -8.296 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.585 " H2'" ' C8 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.399 -4.512 1 O4'-C4'-C3' 92.975 -8.946 . 0.205 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.646 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.087 -30.519 2 C1'-O4'-C4' 123.335 15.261 . 0.09 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.646 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.358 -7.877 2 O4'-C4'-C3' 94.037 -8.188 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.503 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.391 -5.185 2 C1'-O4'-C4' 117.448 8.72 . 0.12 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.54 ' C4 ' ' C6 ' ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.4 -4.376 2 O4'-C4'-C3' 93.326 -8.696 . 0.328 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.653 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.079 -31.178 2 C1'-O4'-C4' 123.097 14.997 . 0.113 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.803 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.418 -2.918 3 C5'-C4'-O4' 151.185 29.989 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.618 ' C6 ' " O2'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.288 -13.74 3 C5'-C4'-O4' 146.016 26.297 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.624 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.09 -30.225 2 C5'-C4'-O4' 130.818 15.441 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.653 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.872 2 C5'-C4'-O4' 140.303 22.217 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.553 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.245 -17.321 3 C5'-C4'-O4' 126.298 12.213 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.553 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.073 -31.707 2 C1'-O4'-C4' 123.472 15.413 . 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.465 " H1'" ' CB ' ' A' ' 23' ' ' HIS . . . . . . . . 1 O4'--C4' 1.404 -4.088 1 C5'-C4'-O4' 125.055 11.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.535 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.154 -24.952 2 C5'-C4'-O4' 140.847 22.605 . 0.287 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.579 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.164 -24.085 2 C5'-C4'-O4' 128.499 13.785 . 0.072 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.579 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.392 -5.083 3 C1'-O4'-C4' 117.477 8.752 . 0.326 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.536 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.388 -5.409 3 C1'-O4'-C4' 117.958 9.287 . 0.016 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.476 0.179 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER 67.71 59.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -61.37 -43.66 98.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.36 -13.13 35.27 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 14.4 t-20 -57.58 -24.62 57.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.585 ' CE1' HD13 ' A' ' 24' ' ' ILE . 10.5 t80 -58.8 -14.3 8.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -55.91 -17.34 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.73 HD21 HG23 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -60.38 -12.97 10.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -55.02 -31.36 61.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -55.53 -18.02 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -130.28 43.76 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 11' ' ' LYS . 24.7 m 74.55 149.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.73 HG23 HD21 ' A' ' 8' ' ' ASN . 3.5 p -133.95 -176.55 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.722 ' H ' HG22 ' A' ' 13' ' ' VAL . 6.9 tttt -120.76 122.17 39.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.526 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 35.3 t -70.97 109.62 5.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.391 1.057 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 2.5 t80 -69.61 6.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.538 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 t30 -116.41 -82.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 17.5 p -63.46 -27.36 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 96.86 -36.21 4.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.58 148.3 3.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 2.1 pm0 -93.93 165.04 12.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.26 -33.27 5.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 25.2 p-80 -147.64 -177.32 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 109.6 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.837 HD11 ' HD2' ' A' ' 26' ' ' LYS . 22.9 pt -120.47 158.67 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.58 ' HB1' ' C4 ' ' B' ' 210' ' ' ' U' . . . -54.41 -37.09 64.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.837 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.21 -28.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.579 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.2 OUTLIER -150.31 56.85 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.364 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.611 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.9 t -71.94 149.68 44.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.1 34.82 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.4 143.45 0.83 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 49.22 2.2 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.92 144.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -72.25 -59.94 2.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -129.8 116.94 19.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.14 148.18 19.31 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.587 1.179 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 42.8 t -75.71 105.94 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.564 ' CE3' ' C5 ' ' B' ' 209' ' ' ' G' . 0.0 OUTLIER -88.13 13.0 12.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -100.63 -36.01 9.3 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.4 p -110.83 -44.89 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.75 29.8 2.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.27 122.05 41.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -76.4 158.74 31.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.247 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.96 -27.45 16.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 25.7 p-80 -135.07 -177.23 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 0.78 . . . . 0.0 109.654 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 2.0 pt20 -128.6 173.08 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.462 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 9.3 tmm? -54.37 -51.16 65.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.067 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 2.1 mtpp -62.24 -11.77 16.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.11 23.14 11.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.2 t -71.94 156.68 38.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 108.285 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 t -145.28 21.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.87 -35.61 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 103.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.79 59.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -101.49 -61.05 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 55.89 -139.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.37 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.471 " H2'" " O4'" ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.536 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.353 -8.303 3 C5'-C4'-O4' 128.275 13.625 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.536 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.263 -15.812 2 C1'-O4'-C4' 114.588 5.542 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.667 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.081 -31.029 2 C1'-O4'-C4' 123.39 15.322 . 0.579 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.667 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.21 -20.243 2 C5'-C4'-O4' 126.637 12.455 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.553 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.206 -20.57 2 C5'-C4'-O4' 137.517 20.226 . 0.01 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.553 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.071 3 C5'-C4'-O4' 142.917 24.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.65 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.159 -24.48 2 C5'-C4'-O4' 138.199 20.714 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.564 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.414 -3.209 3 C5'-C4'-O4' 146.79 26.85 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.58 ' C4 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.212 2 C5'-C4'-O4' 97.382 -8.441 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.6 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.111 -28.461 1 C1'-O4'-C4' 122.021 13.801 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.65 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.671 3 C5'-C4'-O4' 137.461 20.186 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.495 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.179 -22.822 2 C5'-C4'-O4' 127.788 13.277 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.495 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.104 -29.12 2 C5'-C4'-O4' 131.534 15.953 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.797 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.122 1 C5'-C4'-O4' 118.507 6.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.797 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.134 -26.585 2 C5'-C4'-O4' 135.909 19.078 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.768 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.165 -24.001 2 C1'-O4'-C4' 121.888 13.653 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.768 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.389 -5.369 3 C1'-O4'-C4' 117.77 9.078 . 0.066 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.523 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.392 -5.057 2 C1'-O4'-C4' 117.502 8.78 . 0.041 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tpp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.487 0.184 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 4.9 mt-30 -60.77 142.08 56.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 53.5 pttt -60.79 -45.32 94.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 3' ' ' LYS . . . -60.4 -13.53 30.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 19.4 t-20 -56.61 -19.29 15.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.915 ' CE1' HD13 ' A' ' 24' ' ' ILE . 5.6 t80 -60.22 -14.84 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -11.77 16.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -60.84 -14.32 21.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' OE1' ' CE1' ' A' ' 6' ' ' PHE . 7.3 tt0 -55.22 -26.18 37.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -54.34 -24.59 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -131.96 42.84 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.3 m 83.82 123.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.457 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 14' ' ' LYS . 1.3 p -98.77 -174.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.635 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -135.17 127.9 31.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 39.0 t -90.25 116.09 27.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 1.138 . . . . 0.0 108.253 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.8 p90 -85.59 18.71 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.493 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 7.1 t30 -116.02 -54.07 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.6 p -94.3 -26.72 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.26 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.0 34.34 18.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -122.61 145.63 48.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.384 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 3.7 pt-20 -88.63 157.79 18.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.196 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.95 -32.64 5.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.633 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 17.0 p-80 -147.47 173.95 12.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.764 . . . . 0.0 109.572 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.915 HD13 ' CE1' ' A' ' 6' ' ' PHE . 13.3 pt -119.35 159.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.583 ' HB1' ' C5 ' ' B' ' 210' ' ' ' U' . . . -53.22 -38.39 62.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.719 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.73 -28.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.592 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -151.03 57.58 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.633 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.9 t -72.31 143.57 48.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.296 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 28.75 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.83 112.83 10.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 50.83 2.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.481 1.78 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.42 -179.77 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.15 48.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.8 mttp 70.04 113.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.64 152.26 21.83 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.48 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 43.5 t -71.0 105.99 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.77 14.72 9.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -102.83 -34.19 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 29.0 p -110.74 -44.85 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 108.298 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.0 29.72 2.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -120.08 116.1 25.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 8.7 pm0 -73.21 157.57 36.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.02 -30.25 8.52 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.433 1.083 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.506 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 25.8 p-80 -131.96 -174.28 3.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 0.781 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.9 pt20 -131.44 168.95 16.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.413 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 12.2 tmm? -53.53 -41.25 66.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 2.7 tppt? -53.99 -28.48 38.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.28 30.23 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.506 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 22.7 t -48.44 141.86 6.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' GLU . 15.1 t -128.23 2.9 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.41 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.6 OUTLIER 37.79 69.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' CB ' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -81.24 99.9 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 61.76 141.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.77 167.5 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.961 ' OD1' ' N ' ' A' ' 56' ' ' NH2 . 8.9 p30 -137.72 -110.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . 0.961 ' N ' ' OD1' ' A' ' 55' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.649 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.649 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.396 -4.762 3 C5'-C4'-O4' 127.831 13.308 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.492 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.174 -23.291 1 C1'-O4'-C4' 120.541 12.157 . 0.049 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.558 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.169 -23.654 1 C1'-O4'-C4' 121.848 13.608 . 0.191 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.558 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.265 -15.691 3 C1'-O4'-C4' 116.519 7.688 . 0.317 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.553 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.217 -19.702 1 C1'-O4'-C4' 119.655 11.172 . 0.026 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.553 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.167 -23.798 2 C1'-O4'-C4' 120.473 12.081 . 0.251 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.632 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.079 -31.144 1 C1'-O4'-C4' 123.176 15.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.507 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.403 -4.165 3 C5'-C4'-O4' 151.456 30.183 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.583 ' C5 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.221 2 C5'-C4'-O4' 100.125 -6.482 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.603 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.076 -31.396 1 C1'-O4'-C4' 123.291 15.212 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.632 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.877 2 C5'-C4'-O4' 129.194 14.281 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.511 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.105 -28.977 2 C1'-O4'-C4' 122.475 14.306 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.511 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.099 -29.541 2 C1'-O4'-C4' 123.016 14.907 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.789 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.187 2 C1'-O4'-C4' 114.84 5.822 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5n wannabe' 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.789 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.083 -30.839 2 C5'-C4'-O4' 129.793 14.709 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.567 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.155 -24.856 2 C5'-C4'-O4' 131.008 15.577 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.567 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.228 -18.746 2 C5'-C4'-O4' 131.557 15.969 . 0.082 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.547 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.387 -5.511 2 C1'-O4'-C4' 117.076 8.307 . 0.334 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.489 0.185 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -129.79 109.08 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -58.65 -40.51 83.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.57 -25.38 58.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -57.3 -35.77 70.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 0.719 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.502 ' CE2' HD13 ' A' ' 24' ' ' ILE . 5.0 t80 -58.22 -24.5 59.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -12.55 16.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -58.76 -16.44 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.68 -33.24 66.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -19.12 14.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -130.09 41.97 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.0 m 84.59 141.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.379 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.614 HG21 ' CG2' ' A' ' 24' ' ' ILE . 7.3 p -124.08 169.29 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.555 ' N ' HG22 ' A' ' 13' ' ' VAL . 5.6 tttt -116.3 125.01 51.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 29.6 t -87.67 115.08 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.247 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.7 p90 -82.75 14.26 3.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' OD1' ' O4 ' ' B' ' 210' ' ' ' U' . 4.6 t30 -113.69 -57.15 2.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -93.65 -30.86 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 108.327 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 103.76 -36.73 4.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -48.35 175.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 109.303 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 12.3 pt-20 -124.98 162.07 25.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 114.96 -32.73 5.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.606 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 21.9 p-80 -139.64 -177.52 4.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.859 HD11 ' HD2' ' A' ' 26' ' ' LYS . 22.6 pt -122.87 158.23 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.563 ' HB1' ' C6 ' ' B' ' 210' ' ' ' U' . . . -52.46 -35.99 53.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.859 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.14 -31.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.598 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -148.31 56.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 41.8 t -71.2 147.45 48.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.323 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 ptt85 -111.72 30.55 6.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.9 140.95 1.38 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 49.48 2.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -164.21 153.72 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -87.01 -70.46 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -133.79 116.8 16.14 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.451 1.095 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -156.59 159.17 29.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.465 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 47.7 t -76.44 106.72 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.36 14.04 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 107.97 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.15 -36.19 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -110.36 -43.38 3.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.588 1.18 . . . . 0.0 108.294 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.56 28.72 3.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 112.79 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.473 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 7.2 pt-20 -70.41 155.93 40.03 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.614 1.196 . . . . 0.0 110.227 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.94 -29.66 9.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 26.8 p-80 -131.82 -176.57 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.75 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.7 pt20 -131.45 167.66 18.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.8 ttp -53.34 -51.42 62.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -55.13 -18.37 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -125.31 38.58 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 36.2 t -82.64 149.21 27.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.1 p -81.09 -31.1 34.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.374 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -72.09 -59.33 2.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 106.15 5.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.08 162.07 13.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.37 163.08 30.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.229 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 53.87 -170.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.635 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.635 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.108 -28.715 2 C1'-O4'-C4' 122.379 14.199 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.551 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.33 -10.246 1 O4'-C4'-C3' 95.585 -7.082 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.563 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.173 -23.371 2 C5'-C4'-O4' 133.089 17.063 . 0.071 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.563 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.223 -19.165 2 C5'-C4'-O4' 124.749 11.107 . 0.166 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.537 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.271 -15.173 2 C1'-O4'-C4' 119.363 10.848 . 0.107 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.537 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.226 -18.952 2 C1'-O4'-C4' 117.847 9.163 . 0.389 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.497 ' OP1' " H2'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.079 -31.126 1 C1'-O4'-C4' 123.059 14.954 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.497 " H2'" ' OP1' ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.331 -10.177 2 C5'-C4'-O4' 133.442 17.316 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.563 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.282 1 C1'-O4'-C4' 116.898 8.109 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.606 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.119 -27.825 2 C1'-O4'-C4' 121.757 13.508 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.576 ' P ' " O2'" ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.38 2 C5'-C4'-O4' 135.584 18.846 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.572 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.097 -29.682 2 C5'-C4'-O4' 131.447 15.89 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.537 ' C4 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.305 -12.322 3 C5'-C4'-O4' 148.374 27.981 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.783 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.098 1 C5'-C4'-O4' 129.242 14.316 . 0.0 OUTLIER '7D dist 5n wannabe' 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.783 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.153 -25.006 2 C5'-C4'-O4' 140.071 22.05 . 0.326 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.586 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.161 -24.364 2 C5'-C4'-O4' 132.044 16.317 . 0.185 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.586 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.292 -13.453 3 C5'-C4'-O4' 128.853 14.038 . 0.127 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.559 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.384 -5.79 2 C1'-O4'-C4' 117.243 8.492 . 0.225 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.432 ' H2 ' ' CB ' ' A' ' 5' ' ' ASN . 21.7 mtp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.466 0.174 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 72.83 161.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -59.21 -30.64 68.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.9 -27.33 61.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.432 ' CB ' ' H2 ' ' A' ' 1' ' ' MET . 21.1 t-20 -58.18 -24.87 60.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.776 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 66.1 t80 -60.42 -15.69 28.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -58.93 -15.9 15.14 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -58.19 -17.83 21.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.491 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 20.3 tt0 -57.67 -31.66 66.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.577 1.173 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.65 -25.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.417 1.073 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -111.54 -22.77 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.382 1.051 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.57 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 161.6 140.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.431 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.592 HG12 ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -121.48 172.85 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.083 . . . . 0.0 109.237 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.84 123.67 45.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 37.5 t -82.21 111.17 18.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.403 ' HB2' ' C6 ' ' B' ' 211' ' ' ' G' . 0.7 OUTLIER -71.47 9.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 7.5 t30 -118.87 -81.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 21.0 p -63.37 -24.29 67.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 89.23 -30.01 5.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -49.16 177.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.5 pt-20 -122.28 161.18 23.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.244 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.07 -32.64 6.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 18.0 p-80 -145.07 174.6 10.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.604 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.776 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 8.0 pt -117.03 154.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.584 ' HB1' ' C6 ' ' B' ' 210' ' ' ' U' . . . -52.36 -36.42 53.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.606 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.85 -27.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.582 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.2 OUTLIER -150.52 56.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.272 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.61 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 44.1 t -71.93 146.06 48.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -93.28 19.05 8.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.364 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.16 114.31 36.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 50.72 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -83.24 176.31 9.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -140.48 48.93 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' CE ' ' OP1' ' B' ' 207' ' ' ' U' . 2.8 mtmt 70.46 115.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.93 149.72 16.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.483 ' HA ' ' O6 ' ' B' ' 209' ' ' ' G' . 42.4 t -70.3 104.29 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.09 16.69 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -105.52 -32.56 8.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.9 p -110.41 -44.47 3.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 108.241 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.07 30.12 2.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 111.062 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.46 117.97 26.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 12.3 pt-20 -75.87 166.56 23.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.48 -22.93 38.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.137 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 36' ' ' CYS . 20.6 p-80 -138.84 -173.38 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 0.813 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.5 pt20 -133.94 167.07 21.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.418 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 7.6 tmm? -53.16 -42.81 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.86 -24.99 17.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -126.37 34.16 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.452 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 15.0 t -58.04 153.13 15.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.291 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.9 p -125.57 22.11 7.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.08 61.33 1.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -116.49 -56.49 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -90.07 126.16 35.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.7 92.01 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -163.19 -115.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.526 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.532 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.389 -5.32 3 C5'-C4'-O4' 125.779 11.842 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.532 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.322 -10.928 2 O4'-C4'-C3' 95.905 -6.854 . 0.026 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.494 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.139 -26.162 2 C5'-C4'-O4' 130.784 15.417 . 0.128 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.494 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.213 -20.029 2 C5'-C4'-O4' 129.059 14.185 . 0.141 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.5 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.311 -11.864 2 C1'-O4'-C4' 118.676 10.085 . 0.018 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.5 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.103 -29.188 2 C5'-C4'-O4' 130.866 15.476 . 0.266 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.653 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.096 -29.721 2 C1'-O4'-C4' 121.897 13.663 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.607 " O2'" ' C6 ' ' B' ' 210' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.625 2 C5'-C4'-O4' 153.587 31.705 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.607 ' C6 ' " O2'" ' B' ' 209' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.96 3 C5'-C4'-O4' 147.382 27.273 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.596 " O2'" ' P ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.108 -28.722 1 C1'-O4'-C4' 122.445 14.272 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.653 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.716 2 C5'-C4'-O4' 128.528 13.806 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.521 " H2'" ' C4 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.09 -30.236 2 C1'-O4'-C4' 123.248 15.165 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.521 ' C4 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.315 -11.465 3 C5'-C4'-O4' 148.698 28.213 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.799 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.164 1 C5'-C4'-O4' 119.196 7.14 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.799 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.153 -25.035 2 C5'-C4'-O4' 140.677 22.484 . 0.235 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.59 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.15 -25.242 2 C1'-O4'-C4' 122.149 13.943 . 0.361 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.59 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.361 -7.636 3 C5'-C4'-O4' 123.508 10.22 . 0.327 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.541 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.391 -5.138 2 C1'-O4'-C4' 117.65 8.945 . 0.086 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.2 mtt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.51 0.195 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -52.49 -43.1 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.467 ' CG ' ' OP2' ' B' ' 212' ' ' ' A' . 4.2 mptt -60.79 -41.66 96.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.098 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.37 -18.45 43.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -57.9 -35.48 71.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.87 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 3.1 t80 -59.77 -13.92 12.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -58.8 -15.29 11.64 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.594 HD21 HG23 ' A' ' 13' ' ' VAL . 1.4 p-10 -60.81 -13.96 18.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 4.1 tt0 -55.69 -30.78 61.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -55.45 -20.13 11.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -130.11 43.01 3.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.364 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.9 m 84.81 145.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -122.91 -175.22 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' N ' HG13 ' A' ' 13' ' ' VAL . 47.8 tttt -134.27 109.54 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 25.3 t -72.21 114.95 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 108.259 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.437 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.1 p90 -80.67 8.77 7.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 2.3 t30 -107.64 -64.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.1 p -83.23 -26.95 30.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 99.69 -36.43 4.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' GLY . 24.3 mttp -47.0 173.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -121.9 159.1 27.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.337 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.51 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 114.85 -32.55 5.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.663 ' N ' HG12 ' A' ' 13' ' ' VAL . 14.2 p-80 -141.87 173.01 11.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.58 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.87 HD13 ' CZ ' ' A' ' 6' ' ' PHE . 28.4 pt -116.18 163.2 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.92 -37.32 63.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.671 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.44 -29.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.185 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.594 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.38 57.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 41.8 t -73.12 113.75 10.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -89.99 18.91 5.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -47.6 151.91 1.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 48.13 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 165.44 -179.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 18.34 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER 65.35 -173.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -153.08 -176.59 25.76 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.539 1.15 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 52.9 t -60.95 123.51 17.8 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.741 ' CZ2' ' C2 ' ' B' ' 209' ' ' ' G' . 14.7 m0 -70.7 -5.41 29.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -90.19 -76.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 18.2 p -67.85 -45.92 73.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 108.283 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.482 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . 97.43 43.56 2.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -117.67 126.33 52.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 0.747 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -73.37 147.31 44.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.86 -28.67 10.87 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 10.7 p-80 -132.22 160.61 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.75 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.563 ' HB2' ' C5 ' ' B' ' 209' ' ' ' G' . 2.0 pt20 -120.42 177.15 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.656 ' CE ' ' CE3' ' A' ' 37' ' ' TRP . 69.5 mtm -54.52 -49.58 69.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -15.99 13.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -131.66 42.38 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 48.8 t -93.09 114.7 27.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.21 2.46 55.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.85 62.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.83 91.63 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 67.91 116.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.69 174.82 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.4 123.14 18.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.953 ' HA ' " H5'" ' B' ' 201' ' ' CG1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.535 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.396 -4.709 3 C5'-C4'-O4' 128.051 13.465 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.535 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.303 -12.489 2 O4'-C4'-C3' 96.707 -6.281 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.638 HO2' ' P ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.324 -10.764 3 C5'-C4'-O4' 130.208 15.006 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.638 ' P ' HO2' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.06 2 C5'-C4'-O4' 134.479 18.057 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.496 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.123 -27.464 2 C1'-O4'-C4' 122.419 14.243 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.675 ' C4 ' ' C6 ' ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.393 -4.967 2 O4'-C4'-C3' 92.692 -9.149 . 0.69 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.675 ' C6 ' ' C4 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.083 -30.84 2 C5'-C4'-O4' 134.668 18.191 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.741 ' C2 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 0 C3'--C2' 1.504 -1.917 3 C5'-C4'-O4' 146.169 26.406 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.509 " O2'" ' C2 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.251 -16.842 2 C1'-O4'-C4' 120.009 11.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.51 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.071 -31.839 1 C1'-O4'-C4' 123.436 15.373 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.513 " H2'" " O4'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.127 3 C5'-C4'-O4' 139.069 21.335 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.513 " O4'" " H2'" ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.194 -21.605 2 C5'-C4'-O4' 126.212 12.151 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.491 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.106 -28.953 2 C1'-O4'-C4' 122.968 14.853 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.665 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.11 2 C1'-O4'-C4' 113.58 4.422 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.665 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.116 -28.07 2 C5'-C4'-O4' 138.848 21.177 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.592 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.159 -24.461 2 C5'-C4'-O4' 133.061 17.044 . 0.277 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.592 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.339 -9.492 3 C1'-O4'-C4' 118.326 9.695 . 0.228 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.54 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.394 -4.902 3 C1'-O4'-C4' 117.437 8.708 . 0.243 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tpt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.511 0.196 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -143.41 -59.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -20.3 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.48 -17.94 42.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.79 -35.24 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CE1' HD13 ' A' ' 24' ' ' ILE . 3.7 t80 -59.14 -14.55 10.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -56.25 -17.5 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -60.48 -14.75 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.488 ' CG ' ' HB ' ' A' ' 13' ' ' VAL . 10.9 tm0? -55.96 -33.43 64.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -46.61 -23.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -110.52 -24.49 10.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 158.06 153.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.729 HG22 ' H ' ' A' ' 14' ' ' LYS . 2.6 p -143.24 -175.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.729 ' H ' HG22 ' A' ' 13' ' ' VAL . 3.7 tttt -131.1 129.33 41.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 34.6 t -94.18 111.48 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 108.321 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.29 10.08 9.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.454 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.4 t30 -103.68 -54.5 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -92.89 -35.88 13.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 108.352 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.15 35.12 5.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.52 148.22 50.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.184 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -90.17 160.03 16.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.48 -32.25 5.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 13.2 p-80 -148.88 174.71 11.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.65 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.85 HD11 ' HD2' ' A' ' 26' ' ' LYS . 23.9 pt -118.28 163.52 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.88 -38.54 64.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.85 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.19 -29.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.581 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.17 57.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 49.5 t -73.93 146.22 44.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -33.29 69.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.209 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -39.55 103.02 0.27 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 49.9 2.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 68.64 146.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 173.83 72.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -40.17 113.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -173.64 146.04 8.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.416 1.072 . . . . 0.0 111.001 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 44' ' ' HIS . 51.0 t -69.3 104.7 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.75 18.64 4.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 107.974 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.83 -32.15 7.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.2 p -110.2 -44.68 3.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.09 29.85 2.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.21 118.57 28.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 0.72 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.473 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -77.1 161.39 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.17 -26.88 20.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 36' ' ' CYS . 21.6 p-80 -134.41 -172.85 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.459 ' OE1' ' CG ' ' A' ' 47' ' ' LYS . 2.2 pt20 -134.23 172.25 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.2 ttp -54.83 -48.55 72.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.459 ' CG ' ' OE1' ' A' ' 45' ' ' GLN . 27.0 mttm -62.34 -11.88 17.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.54 22.23 9.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.0 t -71.32 155.08 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.329 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.6 p -93.2 -21.52 19.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -73.5 -58.68 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.245 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.95 127.7 54.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -175.71 -59.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 57.58 63.55 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -110.38 146.83 35.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.554 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.554 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.333 -10.031 3 C5'-C4'-O4' 127.676 13.197 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.528 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.287 -13.864 1 O4'-C4'-C3' 97.345 -5.825 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.539 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.335 -9.811 3 C5'-C4'-O4' 139.938 21.956 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.539 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.405 -4.002 2 C5'-C4'-O4' 135.466 18.761 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.474 " C1'" " H2'" ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.3 -12.741 2 C1'-O4'-C4' 119.05 10.5 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.436 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.178 -22.938 1 C1'-O4'-C4' 119.708 11.231 . 0.135 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.501 ' N2 ' ' N6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.078 -31.283 1 C1'-O4'-C4' 123.355 15.284 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.534 ' C6 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.395 -4.803 3 C5'-C4'-O4' 139.538 21.67 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.406 ' OP1' " C4'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.39 -5.273 2 C5'-C4'-O4' 125.016 11.297 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.604 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.172 -23.452 2 C5'-C4'-O4' 90.069 -13.665 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.556 ' P ' " O2'" ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.347 2 C5'-C4'-O4' 137.506 20.219 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.545 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.092 -30.092 2 C5'-C4'-O4' 131.339 15.813 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.52 ' C4 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.372 -6.739 2 C5'-C4'-O4' 150.13 29.236 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.581 ' C6 ' ' HB2' ' A' ' 27' ' ' ASN . . . . . . . . 0 O4'--C4' 1.408 -3.714 2 C1'-O4'-C4' 115.737 6.819 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.436 " H5'" " C2'" ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.139 -26.17 2 C5'-C4'-O4' 140.611 22.437 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.607 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.212 -20.102 2 C5'-C4'-O4' 130.127 14.948 . 0.088 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.607 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.364 -7.456 2 O4'-C4'-C3' 94.258 -8.03 . 0.207 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.546 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.393 -5.011 3 O4'-C4'-C3' 94.096 -8.146 . 0.239 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mtt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.436 0.16 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 70.52 -63.11 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -58.76 -40.78 84.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.64 -24.95 57.8 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -58.45 -35.6 72.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.574 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 19.8 t80 -60.13 -13.25 11.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -60.77 -12.51 10.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.787 HD21 HG23 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -59.74 -13.62 10.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -55.2 -33.78 63.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.392 1.058 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -18.4 8.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 12' ' ' THR . 4.8 mttt -128.13 42.51 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.607 HG23 ' HA2' ' A' ' 22' ' ' GLY . 25.0 m 74.65 149.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.806 HG11 HG23 ' A' ' 24' ' ' ILE . 1.1 p -121.3 -174.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.621 ' H ' HG22 ' A' ' 13' ' ' VAL . 10.0 tttt -121.58 116.61 24.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 34.7 t -81.44 106.65 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.336 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.02 0.69 12.88 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.504 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 5.4 t30 -98.23 -76.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -70.66 -31.84 68.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 108.267 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 105.03 -31.46 8.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.551 1.157 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 19' ' ' GLY . 3.6 ttmt -51.71 -176.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -131.58 157.83 42.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.607 ' HA2' HG23 ' A' ' 12' ' ' THR . . . 116.48 -33.89 4.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.632 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 25.3 p-80 -137.77 178.77 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 0.803 . . . . 0.0 109.562 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.806 HG23 HG11 ' A' ' 13' ' ' VAL . 25.9 pt -121.19 160.89 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -54.32 -37.73 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.635 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.14 -29.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.578 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.73 57.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.632 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.2 t -69.85 151.0 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 108.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -109.2 30.24 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.53 151.93 0.24 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 48.29 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.431 1.753 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.469 ' HD3' ' CG ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER 171.22 167.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -67.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -124.55 130.58 52.72 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -160.82 147.35 13.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' HIS . 52.7 t -72.25 105.66 4.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.56 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.54 19.91 4.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB2' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -109.76 -30.81 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 30.7 p -110.9 -43.66 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.327 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.74 31.12 2.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -125.63 125.2 42.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 0.825 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.469 ' CG ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -82.16 167.55 18.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.6 9.06 65.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' CYS . 13.8 p-80 -171.0 -176.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.63 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.515 ' CD ' ' HB2' ' A' ' 47' ' ' LYS . 2.7 pt20 -135.04 170.52 15.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.477 ' HG2' ' N7 ' ' B' ' 209' ' ' ' G' . 0.1 OUTLIER -50.38 -37.47 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HB2' ' CD ' ' A' ' 45' ' ' GLN . 2.4 mttt -57.08 -39.97 76.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -109.28 31.88 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.439 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 7.6 t -58.73 159.36 6.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 108.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 t -140.17 14.1 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -38.92 -47.55 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.71 -56.56 13.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 140.91 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.49 63.2 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -146.11 176.11 9.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.102 -29.246 2 C1'-O4'-C4' 122.691 14.545 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.548 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.332 -10.103 1 O4'-C4'-C3' 95.495 -7.146 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.552 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.173 -23.3 2 C5'-C4'-O4' 133.04 17.028 . 0.08 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.552 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.236 -18.057 3 C1'-O4'-C4' 116.206 7.34 . 0.233 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.561 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.229 -18.67 2 C5'-C4'-O4' 130.503 15.216 . 0.011 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.591 " H2'" " H4'" ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.4 -4.423 3 C5'-C4'-O4' 136.857 19.755 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.591 " H4'" " H2'" ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.157 -24.668 2 C5'-C4'-O4' 141.058 22.756 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.606 " O2'" ' C6 ' ' B' ' 210' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.406 -3.946 2 C5'-C4'-O4' 153.019 31.299 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.606 ' C6 ' " O2'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.196 1 C5'-C4'-O4' 137.82 20.443 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.594 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.101 -29.363 1 C1'-O4'-C4' 122.29 14.099 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.543 ' P ' " O2'" ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.551 2 C5'-C4'-O4' 139.308 21.506 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.61 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.143 -25.81 2 C5'-C4'-O4' 128.93 14.093 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.5 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.12 -27.786 2 C5'-C4'-O4' 133.73 17.522 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.702 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.168 1 C1'-O4'-C4' 113.264 4.071 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.702 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.15 -25.23 2 C5'-C4'-O4' 141.105 22.79 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.579 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.134 -26.578 2 C5'-C4'-O4' 131.676 16.054 . 0.312 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.579 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.235 -18.157 2 C5'-C4'-O4' 130.913 15.509 . 0.113 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.559 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.388 -5.416 2 O4'-C4'-C3' 94.05 -8.178 . 0.259 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.431 0.157 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.86 113.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 4' ' ' GLY . 15.0 pttt -58.74 -40.76 84.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 3' ' ' LYS . . . -58.78 -24.95 58.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -57.33 -35.4 69.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.506 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 1.7 t80 -59.07 -23.34 61.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -60.69 -14.2 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.728 HD21 HG23 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -61.4 -14.26 26.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.416 HE22 HG11 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -55.52 -24.58 32.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.624 1.203 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -56.14 -24.97 44.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -124.42 34.08 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.1 m 83.21 156.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.741 HG22 ' H ' ' A' ' 14' ' ' LYS . 3.6 p -129.2 -176.65 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.741 ' H ' HG22 ' A' ' 13' ' ' VAL . 9.8 tttm -137.93 127.78 25.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 25' ' ' ALA . 33.3 t -80.22 117.43 21.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -83.6 14.34 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.606 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.5 t30 -114.8 -51.92 2.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -100.43 -34.42 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.277 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 109.48 -41.84 2.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.78 150.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -103.13 160.02 15.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 111.68 -31.22 7.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.695 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 4.4 p-80 -139.96 -176.72 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.586 HD11 ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -128.76 165.02 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.606 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -55.21 -52.57 62.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.586 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.98 -25.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.569 ' HB3' ' C6 ' ' B' ' 215' ' ' ' A' . 0.0 OUTLIER -145.87 58.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.695 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 42.2 t -80.64 136.27 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.248 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ALA . 35.6 mtp180 -56.81 -30.83 64.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -38.94 141.04 0.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 -32.61 5.1 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 6.1 tmm_? 72.15 132.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 7.4 tttm -169.93 46.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' LYS . 13.3 mttt 59.03 112.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 44' ' ' HIS . . . -168.29 128.68 1.75 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' HIS . 49.8 t -71.63 105.41 3.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.628 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.75 16.87 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -105.24 -33.37 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 28.7 p -109.01 -44.56 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 108.241 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.15 30.65 2.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -119.66 129.81 54.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 0.725 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.98 162.31 18.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.76 -24.52 31.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 17.2 p-80 -136.39 -174.74 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.644 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.443 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 1.4 pt20 -134.47 172.01 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttm -54.79 -47.0 74.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.443 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 1.7 mmpt? -61.24 -12.91 14.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.09 23.79 7.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.2 t -65.98 154.44 39.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 108.295 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 p -99.19 -21.97 15.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -58.85 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.87 124.08 9.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 63.28 97.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.56 167.64 9.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -49.18 158.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.58 ' O6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.58 ' C6 ' ' O6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.216 -19.774 1 C1'-O4'-C4' 117.394 8.66 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.595 " H2'" ' C8 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.397 -4.645 1 O4'-C4'-C3' 92.995 -8.932 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.595 ' C8 ' " H2'" ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.105 -28.999 2 C1'-O4'-C4' 122.575 14.417 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.57 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.303 -12.509 3 C5'-C4'-O4' 118.716 6.797 . 0.428 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.526 " C1'" " H2'" ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.366 -7.284 3 O4'-C4'-C3' 94.416 -7.917 . 0.369 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.397 -4.653 2 O4'-C4'-C3' 93.544 -8.54 . 0.269 7a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.644 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.212 -20.088 2 C1'-O4'-C4' 117.899 9.221 . 0.232 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.299 3 C5'-C4'-O4' 149.315 28.654 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.217 2 C1'-O4'-C4' 117.564 8.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.574 " O2'" ' P ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.137 -26.316 2 C1'-O4'-C4' 121.283 12.981 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.644 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.945 2 C5'-C4'-O4' 133.979 17.699 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.517 " H2'" ' C4 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.096 -29.76 2 C5'-C4'-O4' 130.096 14.926 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.517 ' C4 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.151 -25.184 2 C5'-C4'-O4' 141.673 23.195 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.692 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.402 -4.265 1 C5'-C4'-O4' 122.552 9.537 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.692 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.155 -24.866 2 C5'-C4'-O4' 140.198 22.141 . 0.236 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.594 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.172 -23.376 2 C5'-C4'-O4' 131.861 16.187 . 0.099 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.598 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.208 -20.42 2 C1'-O4'-C4' 118.88 10.311 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.598 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.377 -6.307 2 O4'-C4'-C3' 94.329 -7.979 . 0.532 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mtt . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.514 0.197 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 18.6 mt-30 -54.61 157.88 2.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -46.21 91.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.98 -12.0 34.21 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 4.9 t30 -60.96 -15.33 30.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.615 ' CZ ' HD13 ' A' ' 24' ' ' ILE . 6.1 t80 -59.17 -14.28 10.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -58.2 -14.97 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -60.25 -13.33 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HG2' ' CG1' ' A' ' 13' ' ' VAL . 4.9 tm0? -54.33 -28.7 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -54.54 -18.96 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 12' ' ' THR . 7.1 ttmt -136.18 44.27 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.552 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.0 m 85.68 142.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.667 HG21 ' CG2' ' A' ' 24' ' ' ILE . 7.7 p -127.53 169.3 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' N ' HG22 ' A' ' 13' ' ' VAL . 16.0 tttt -113.24 110.46 20.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 34.3 t -63.49 107.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 108.336 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 3.4 t80 -71.12 3.63 3.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.544 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 4.0 t30 -107.3 -80.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -66.61 -31.91 72.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 105.13 -38.69 3.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.589 1.18 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -50.7 156.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 12.3 pt-20 -101.99 164.66 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.79 -33.31 5.27 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.604 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.7 p-80 -145.19 -178.39 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 0.821 . . . . 0.0 109.602 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.667 ' CG2' HG21 ' A' ' 13' ' ' VAL . 37.2 pt -121.77 162.76 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.577 ' HB1' ' C5 ' ' B' ' 210' ' ' ' U' . . . -54.06 -40.59 67.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.473 ' HE2' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -39.69 -28.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.537 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.11 58.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.604 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 52.3 t -75.88 136.98 40.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -31.69 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -45.46 152.66 0.64 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 48.12 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.768 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -86.38 -177.68 6.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.371 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER 90.48 -17.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.6 31.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -154.07 142.94 9.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' HIS . 43.7 t -71.62 107.19 4.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.631 ' C ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.45 16.33 7.78 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 1.6 tttp -105.76 -33.23 8.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 41' ' ' LYS . 29.9 p -112.48 -44.76 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 108.279 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.21 31.93 2.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 14.4 mttt -120.16 120.69 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 161.21 28.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.84 -2.09 56.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.578 1.174 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' CYS . 16.2 p-80 -161.95 -177.6 5.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 0.768 . . . . 0.0 109.603 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.482 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 3.0 pt20 -129.56 171.76 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.49 ' CG ' ' N7 ' ' B' ' 209' ' ' ' G' . 1.9 ppp? -58.67 -32.5 69.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.482 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -64.03 -14.9 57.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -133.97 29.01 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 8.9 t -57.63 144.62 36.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t -118.98 13.45 13.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -59.27 4.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.49 168.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -40.51 111.05 0.18 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.13 147.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -150.03 -38.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.948 ' HB ' " C5'" ' B' ' 201' ' ' CG1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.546 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.399 -4.489 3 C5'-C4'-O4' 131.233 15.738 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.529 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.253 -16.641 3 C1'-O4'-C4' 114.421 5.357 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.55 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.157 -24.691 2 C1'-O4'-C4' 122.084 13.871 . 0.427 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.55 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.23 -18.564 3 C5'-C4'-O4' 122.543 9.531 . 0.334 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.511 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.321 -10.981 2 C5'-C4'-O4' 132.798 16.855 . 0.012 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.511 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.356 -8.12 3 C1'-O4'-C4' 118.625 10.028 . 0.015 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.651 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.127 -27.185 2 C1'-O4'-C4' 122.588 14.431 . 0.245 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.49 ' N7 ' ' CG ' ' A' ' 46' ' ' MET . . . . . . . . 0 O4'--C4' 1.405 -3.997 3 C5'-C4'-O4' 147.168 27.12 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.577 ' C5 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.401 -4.302 2 C5'-C4'-O4' 95.201 -10.0 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.457 ' N7 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.082 -30.938 1 C1'-O4'-C4' 122.65 14.5 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.651 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.561 3 C5'-C4'-O4' 140.75 22.535 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.533 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.246 -17.275 3 C5'-C4'-O4' 127.803 13.288 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.533 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.17 -23.617 2 C5'-C4'-O4' 91.02 -12.986 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.589 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.406 -3.898 2 C5'-C4'-O4' 91.14 -12.9 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.589 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.121 -27.705 2 C5'-C4'-O4' 139.473 21.624 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.588 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.155 -24.872 2 C1'-O4'-C4' 122.122 13.914 . 0.227 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.588 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.332 -10.125 3 C5'-C4'-O4' 130.78 15.414 . 0.163 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.528 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.394 -4.883 3 C1'-O4'-C4' 117.915 9.239 . 0.087 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.515 0.198 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 74.59 -59.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' CD ' ' OP1' ' B' ' 212' ' ' ' A' . 32.3 ttpt -57.64 -35.81 71.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.72 -15.04 32.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -58.03 -34.77 70.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' A' ' 24' ' ' ILE . 1.9 t80 -60.65 -13.72 16.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -61.75 -13.13 20.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -60.34 -15.23 23.67 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -56.26 -33.36 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -55.56 -23.05 24.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.94 42.51 3.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m 71.35 121.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.742 HG11 HG23 ' A' ' 24' ' ' ILE . 1.4 p -94.56 -175.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.644 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -135.27 117.47 15.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 30.5 t -74.76 112.17 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.81 3.36 33.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 2.5 t30 -96.23 -56.3 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -91.84 -35.0 14.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 113.39 -36.98 3.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -48.59 175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.97 162.88 24.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 111.55 -30.44 7.85 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.069 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 11.3 p-80 -142.0 174.42 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.615 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.742 HG23 HG11 ' A' ' 13' ' ' VAL . 43.7 pt -117.0 164.86 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.55 ' O ' ' C2 ' ' B' ' 210' ' ' ' U' . . . -54.44 -38.17 65.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' NZ ' " H4'" ' B' ' 213' ' ' ' G' . 0.0 OUTLIER -40.9 -27.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.359 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.58 ' CB ' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.83 57.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 52.9 t -76.09 107.71 8.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 108.26 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -84.86 11.93 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.615 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -39.34 99.79 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.07 -2.09 12.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 170.93 176.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 88.86 -14.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -49.61 117.36 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -148.16 163.71 28.92 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' HIS . 36.3 t -76.62 116.04 16.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.646 ' NE1' ' C6 ' ' B' ' 209' ' ' ' G' . 9.1 p-90 -87.85 35.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.125 . . . . 0.0 107.985 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.94 -43.35 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.3 p -101.82 -31.15 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.251 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.13 28.2 11.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.43 125.8 51.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -82.07 157.18 24.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.16 8.49 56.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.566 1.167 . . . . 0.0 111.027 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.9 p-80 -170.02 172.61 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.624 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.546 ' HB2' ' C6 ' ' B' ' 209' ' ' ' G' . 2.9 pt20 -128.59 169.18 14.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.423 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 44.0 ttp -53.64 -42.09 67.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.59 -24.51 14.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.377 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.91 44.03 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.1 t -69.69 158.29 35.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.344 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.8 p -115.61 -6.42 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.414 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -104.33 -60.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 61.57 82.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -78.36 123.48 27.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.18 -61.02 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -126.09 141.39 51.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.526 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.531 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.467 3 C5'-C4'-O4' 134.357 17.969 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.531 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.206 -20.582 1 C1'-O4'-C4' 118.508 9.897 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.729 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.136 -26.406 1 C1'-O4'-C4' 120.936 12.596 . 0.377 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.729 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.387 -5.522 2 O4'-C4'-C3' 93.047 -8.895 . 0.05 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.474 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.315 2 C1'-O4'-C4' 117.853 9.17 . 0.015 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.474 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.367 2 C1'-O4'-C4' 117.563 8.848 . 0.324 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.653 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.091 -30.159 2 C1'-O4'-C4' 123.093 14.993 . 0.066 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.646 ' C6 ' ' NE1' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.41 -3.608 3 C5'-C4'-O4' 148.011 27.722 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.55 ' C2 ' ' O ' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.328 -10.386 0 C3'-C2'-O2' 102.69 -3.659 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.784 H5'' " H4'" ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.17 -23.616 2 C5'-C4'-O4' 138.138 20.67 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.784 " H4'" H5'' ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.53 2 C5'-C4'-O4' 138.09 20.636 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.501 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.169 -23.684 2 C5'-C4'-O4' 127.078 12.77 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.484 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.084 -30.708 2 C1'-O4'-C4' 123.17 15.078 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.785 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.359 2 C5'-C4'-O4' 117.02 5.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.785 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.153 -25.024 2 C5'-C4'-O4' 140.068 22.048 . 0.253 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.595 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.161 -24.367 2 C5'-C4'-O4' 133.021 17.015 . 0.189 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.595 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.331 -10.165 3 C5'-C4'-O4' 124.308 10.792 . 0.234 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.542 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.395 -4.858 2 C1'-O4'-C4' 117.588 8.876 . 0.278 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.499 0.19 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.457 ' O ' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 41.13 -166.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -38.04 89.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 7' ' ' ARG . . . -55.69 -16.35 11.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -56.68 -40.56 75.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 3.5 t80 -59.82 -14.37 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 9.4 ttm180 -57.68 -16.98 12.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.793 HD21 HG23 ' A' ' 13' ' ' VAL . 1.1 p-10 -61.56 -14.02 26.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.567 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 6.6 tt0 -56.35 -28.63 59.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -20.04 18.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -128.73 41.59 3.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.508 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.2 m 83.05 151.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 110.359 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.793 HG23 HD21 ' A' ' 8' ' ' ASN . 0.5 OUTLIER -133.92 -175.29 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' H ' HG22 ' A' ' 13' ' ' VAL . 4.6 ttpt -130.21 122.4 28.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 24.6 t -85.72 113.73 22.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 108.335 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.474 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -82.81 9.21 10.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.977 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.508 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 4.8 t30 -105.76 -57.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.1 p -91.86 -31.89 15.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 108.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 106.03 -36.14 4.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLY . 5.9 mptt -47.4 173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' OE1' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -121.88 161.48 22.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 112.52 -31.28 6.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.066 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.637 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 16.1 p-80 -142.12 -179.69 6.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.728 HG23 HG11 ' A' ' 13' ' ' VAL . 36.4 pt -124.87 162.73 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB1' ' C6 ' ' B' ' 210' ' ' ' U' . . . -52.73 -40.37 62.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' CE ' " H3'" ' B' ' 211' ' ' ' G' . 0.0 OUTLIER -39.93 -28.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 109.253 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.577 ' HB2' ' C4 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -151.17 58.37 0.9 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 45.0 t -74.06 145.2 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -94.06 21.29 6.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.86 109.28 1.55 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 50.72 2.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 21.7 mtt180 58.68 114.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.218 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 164.13 54.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -39.86 120.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.96 110.97 1.63 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.42 ' HA ' ' O6 ' ' B' ' 209' ' ' ' G' . 42.1 t -65.93 107.3 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.671 ' NE1' ' C6 ' ' B' ' 209' ' ' ' G' . 4.0 p-90 -89.46 10.88 21.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.16 . . . . 0.0 108.007 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -37.07 10.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.49 -41.07 5.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 108.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.38 28.92 4.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -118.92 140.09 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -92.6 165.99 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.217 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.8 -8.73 76.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.964 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.483 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 11.4 p-80 -153.1 -179.5 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.617 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.506 ' OE1' ' CG ' ' A' ' 47' ' ' LYS . 4.3 pt20 -134.31 172.9 12.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.427 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 5.3 tmm? -54.8 -47.74 73.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.506 ' CG ' ' OE1' ' A' ' 45' ' ' GLN . 3.2 mmpt? -58.47 -17.23 19.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.35 28.87 6.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.483 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.1 t -64.46 157.99 25.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 108.26 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.4 p -116.93 -10.43 10.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.356 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -52.72 -60.03 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 8.4 ptp85 -56.73 -38.47 72.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 1.9 tp60 -149.17 117.17 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.34 71.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -123.2 146.24 47.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.546 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.546 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.342 -9.21 3 O4'-C4'-C3' 95.144 -7.397 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.537 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.304 -12.384 1 O4'-C4'-C3' 96.621 -6.342 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.565 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.345 -9.04 2 C5'-C4'-O4' 140.194 22.139 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.565 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.093 -29.959 2 C1'-O4'-C4' 123.104 15.005 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.481 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.394 -4.917 3 C1'-O4'-C4' 117.958 9.286 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.508 " O2'" ' C4 ' ' B' ' 210' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.164 -24.118 1 C1'-O4'-C4' 120.228 11.809 . 0.194 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.652 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.096 -29.78 1 C1'-O4'-C4' 122.76 14.623 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.671 ' C6 ' ' NE1' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.409 -3.681 3 C5'-C4'-O4' 145.408 25.863 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.646 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.271 -15.137 1 C1'-O4'-C4' 116.442 7.602 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.583 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.127 -27.143 1 C1'-O4'-C4' 121.479 13.199 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.652 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.737 2 C5'-C4'-O4' 137.334 20.096 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.562 " H2'" ' C6 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.226 -18.906 3 C5'-C4'-O4' 123.29 10.064 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.562 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.078 -31.217 2 C5'-C4'-O4' 129.921 14.801 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.631 ' C8 ' ' OP2' ' B' ' 215' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.924 1 C5'-C4'-O4' 139.096 21.354 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.614 " H4'" " H2'" ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.089 -30.315 2 C5'-C4'-O4' 136.806 19.719 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.572 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.157 -24.695 2 C1'-O4'-C4' 121.44 13.156 . 0.018 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.572 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.364 -7.393 3 C1'-O4'-C4' 118.249 9.61 . 0.079 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.532 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.395 -4.853 3 C1'-O4'-C4' 117.923 9.248 . 0.02 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.566 ' N ' HD22 ' A' ' 5' ' ' ASN . 8.3 mtt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.467 0.175 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 71.67 173.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -37.12 72.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.22 -18.32 41.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.566 HD22 ' N ' ' A' ' 1' ' ' MET . 16.4 t-20 -57.84 -36.02 71.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.388 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.2 t80 -60.56 -13.52 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -13.21 19.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -61.12 -14.77 26.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' OE1' ' CE1' ' A' ' 6' ' ' PHE . 1.8 tt0 -55.71 -27.47 50.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -25.08 33.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -130.01 41.18 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.243 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.6 m 81.59 123.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.702 HG22 ' H ' ' A' ' 14' ' ' LYS . 2.7 p -90.4 -175.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.702 ' H ' HG22 ' A' ' 13' ' ' VAL . 11.0 ttpp -127.3 114.91 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 24.7 t -78.2 112.95 15.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -82.64 8.3 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.492 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 3.2 t30 -104.5 -57.3 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.6 p -92.82 -33.52 14.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 108.237 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.7 -37.28 3.89 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.9 172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 0.726 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -120.89 161.05 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.487 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 113.23 -31.9 6.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.115 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 9.2 p-80 -142.63 174.62 10.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.603 ' HB ' ' C5 ' ' B' ' 211' ' ' ' G' . 6.2 pt -118.21 164.7 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.661 ' HB1' ' C6 ' ' B' ' 210' ' ' ' U' . . . -53.96 -38.92 65.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' HE3' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.2 -27.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.589 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -151.01 57.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 49.5 t -77.28 106.76 9.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.76 7.56 14.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.6 1.187 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -39.76 100.01 0.21 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 18.4 Cg_endo -75.06 -3.78 14.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.588 1.836 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 172.82 115.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 1.3 mttp 165.03 -30.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -38.5 116.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -153.22 151.03 22.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' HIS . 41.9 t -68.74 106.97 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.704 ' CZ2' ' C5 ' ' B' ' 209' ' ' ' G' . 3.9 p-90 -89.94 13.68 14.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CD ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -101.1 -34.74 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.4 p -109.44 -42.16 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.318 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.35 28.47 3.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -120.06 119.43 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.474 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 6.6 pt-20 -77.89 159.33 28.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.13 -26.43 22.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' CYS . 18.1 p-80 -134.22 -175.84 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 0.785 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.415 ' NE2' ' OP1' ' B' ' 208' ' ' ' G' . 2.5 pt20 -131.49 164.22 26.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.444 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 39.4 ttp -53.5 -50.42 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -54.69 -19.86 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -124.57 37.88 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 13.9 t -76.45 153.57 35.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.405 1.066 . . . . 0.0 108.295 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.8 p -90.89 -23.67 20.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.366 1.041 . . . . 0.0 110.4 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -110.96 57.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -56.78 3.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.38 144.9 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.54 142.35 8.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -68.7 -150.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.527 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.533 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.396 -4.742 3 C5'-C4'-O4' 129.126 14.233 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.533 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.168 -23.758 2 C1'-O4'-C4' 118.739 10.154 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.316 -11.384 2 C1'-O4'-C4' 118.806 10.229 . 0.433 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.076 2 C5'-C4'-O4' 133.925 17.66 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.545 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.164 -24.094 2 C1'-O4'-C4' 121.847 13.608 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.545 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.225 -19.039 2 C1'-O4'-C4' 116.375 7.528 . 0.045 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.646 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.095 -29.844 1 C1'-O4'-C4' 122.817 14.686 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.704 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.406 -3.953 3 C5'-C4'-O4' 147.363 27.259 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.661 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.246 -17.209 1 C1'-O4'-C4' 116.792 7.991 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.603 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.073 -31.667 1 C1'-O4'-C4' 123.318 15.242 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.646 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.847 2 C5'-C4'-O4' 135.333 18.666 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.491 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.251 -16.833 3 C5'-C4'-O4' 127.528 13.092 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.491 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.086 -30.606 2 C1'-O4'-C4' 123.378 15.309 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.674 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.097 1 C5'-C4'-O4' 124.213 10.724 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.674 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.09 -30.228 2 C5'-C4'-O4' 136.652 19.609 . 0.045 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.582 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.155 -24.841 2 C5'-C4'-O4' 132.499 16.642 . 0.522 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.582 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.36 -7.759 3 C5'-C4'-O4' 130.709 15.363 . 0.132 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.527 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.391 -5.139 3 C1'-O4'-C4' 118.041 9.379 . 0.043 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.438 0.161 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.38 -59.68 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -59.44 -42.41 91.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.51 53.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -61.87 -35.99 79.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.772 ' HE1' HG21 ' A' ' 24' ' ' ILE . 24.9 t80 -59.27 -13.51 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -57.49 -15.16 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.767 HD21 HG23 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -59.89 -13.26 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.84 -31.92 60.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -18.4 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.5 tptt -129.5 43.16 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.574 HG22 ' HB2' ' A' ' 21' ' ' GLU . 24.8 m 74.7 152.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.767 HG23 HD21 ' A' ' 8' ' ' ASN . 0.8 OUTLIER -125.55 -172.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.586 ' H ' HG22 ' A' ' 13' ' ' VAL . 9.2 ttpt -125.25 119.91 29.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.5 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 38.1 t -75.57 108.46 8.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 108.206 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 11.8 t80 -71.16 11.69 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.532 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 4.9 t30 -120.66 -82.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 17' ' ' ASN . 16.9 p -66.28 -24.56 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 108.27 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 95.79 -37.05 3.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 15' ' ' CYS . 6.5 mttt -45.5 149.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HB2' HG22 ' A' ' 12' ' ' THR . 5.4 pm0 -99.28 151.06 21.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 126.89 -30.63 4.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.656 ' N ' HG12 ' A' ' 13' ' ' VAL . 16.7 p-80 -148.77 175.68 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.616 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.772 HG21 ' HE1' ' A' ' 6' ' ' PHE . 38.6 pt -112.47 162.21 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -56.52 -38.67 72.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' NZ ' ' N3 ' ' B' ' 212' ' ' ' A' . 0.0 OUTLIER -40.26 -28.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.519 ' HB2' ' C2 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -149.35 57.45 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.629 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 50.5 t -72.87 119.36 17.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 108.372 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.43 -27.25 69.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.533 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -38.74 99.43 0.19 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.99 49.22 2.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.769 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -60.82 177.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.32 47.5 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt 70.04 113.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.403 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -165.37 150.87 19.16 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.568 1.167 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 44.2 t -71.38 105.04 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.97 15.62 8.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.79 -33.57 8.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.7 p -110.16 -44.46 3.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 108.301 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.01 29.59 2.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -121.95 117.44 26.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -75.06 161.42 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.7 -27.05 19.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.8 p-80 -134.61 -173.73 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.598 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.465 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.8 pt20 -133.31 168.74 18.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.419 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 3.2 ttp -53.17 -41.7 65.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -54.13 -28.08 37.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.37 31.4 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 18.8 t -50.89 151.8 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.382 1.051 . . . . 0.0 108.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -110.73 -20.12 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -59.54 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.246 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 74.12 -57.42 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.076 . . . . 0.0 110.343 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 58.06 169.04 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.6 107.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -144.91 -140.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.51 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.53 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.381 -6.005 3 C5'-C4'-O4' 127.308 12.934 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.53 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.305 -12.322 2 O4'-C4'-C3' 96.601 -6.356 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.478 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.105 -28.989 2 C1'-O4'-C4' 122.554 14.393 . 0.475 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.478 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.287 -13.834 3 C5'-C4'-O4' 121.767 8.977 . 0.402 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.48 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.202 -20.942 2 C1'-O4'-C4' 120.675 12.306 . 0.177 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.48 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.384 2 O4'-C4'-C3' 92.43 -9.336 . 0.297 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.644 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.288 -13.767 2 O4'-C4'-C3' 97.008 -6.066 . 0.543 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.467 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.409 -3.652 3 C5'-C4'-O4' 146.316 26.511 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.517 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.292 -13.422 2 C5'-C4'-O4' 91.128 -12.908 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.525 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.103 -29.162 1 C1'-O4'-C4' 122.487 14.319 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.644 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.808 3 C5'-C4'-O4' 140.0 22.0 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.489 " H1'" ' CD ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.105 -28.997 2 C5'-C4'-O4' 129.495 14.496 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.455 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.218 -19.619 2 C5'-C4'-O4' 145.277 25.769 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.613 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.402 -4.214 1 C5'-C4'-O4' 122.433 9.452 . 0.01 5n . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.613 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.131 -26.828 2 C5'-C4'-O4' 139.882 21.916 . 0.305 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.578 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.167 -23.836 2 C5'-C4'-O4' 128.346 13.675 . 0.248 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.578 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.347 -8.85 3 C5'-C4'-O4' 127.532 13.094 . 0.259 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.528 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.388 -5.435 2 C1'-O4'-C4' 117.972 9.302 . 0.142 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.485 0.183 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 64.16 117.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.499 ' CB ' ' OP1' ' B' ' 212' ' ' ' A' . 0.0 OUTLIER -61.88 -30.32 70.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.9 -24.2 53.32 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.521 1.138 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -57.53 -37.33 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.636 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 1.9 t80 -60.12 -14.55 17.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -58.47 -16.14 13.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' ND2' ' C ' ' A' ' 8' ' ' ASN . 1.2 p-10 -61.22 -14.67 27.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -56.81 -31.18 64.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -57.68 -19.31 25.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -126.81 39.74 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.605 1.19 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.4 m 81.95 149.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.768 HG21 ' CG2' ' A' ' 24' ' ' ILE . 10.8 p -135.4 172.29 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' H ' HG22 ' A' ' 13' ' ' VAL . 8.4 ttmt -122.2 129.08 51.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.7 t -88.82 111.42 22.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.04 13.58 5.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 2.9 t30 -108.21 -55.63 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -99.67 -24.77 14.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 108.343 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.28 -42.14 1.97 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.77 161.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 0.721 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -113.9 174.72 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.61 -22.24 41.92 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.599 1.187 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 12.2 p-80 -149.44 173.59 13.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.509 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.768 ' CG2' HG21 ' A' ' 13' ' ' VAL . 39.4 pt -116.41 161.96 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.416 1.073 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.55 -38.89 64.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.614 ' NZ ' " H4'" ' B' ' 213' ' ' ' G' . 0.0 OUTLIER -40.51 -28.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.375 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.584 ' HB2' ' C5 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.52 57.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.62 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.2 t -74.35 148.73 41.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 0.0 108.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.67 36.36 4.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.42 153.06 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.92 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 160.59 14.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -39.18 77.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.78 125.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -114.54 108.24 1.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HA ' ' O6 ' ' B' ' 209' ' ' ' G' . 48.8 t -61.42 108.32 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.781 ' CZ2' ' C5 ' ' B' ' 209' ' ' ' G' . 1.8 p-90 -90.29 12.59 17.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.612 1.195 . . . . 0.0 107.959 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.96 -39.5 8.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -106.23 -36.95 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.184 . . . . 0.0 108.296 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.14 26.96 6.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.75 139.04 49.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 157.88 16.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.19 -23.37 35.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.494 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 9.7 p-80 -137.2 -177.4 4.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 109.628 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 2.9 pt20 -137.91 169.45 17.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.436 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 9.9 tmm? -53.26 -40.87 64.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.98 -29.73 57.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -124.63 39.33 4.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.494 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 8.7 t -62.91 157.96 20.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.317 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.6 t -137.15 16.81 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -124.65 -59.45 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 ttp-105 62.74 81.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.234 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 38.95 76.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.37 75.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -122.65 -159.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.501 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.593 ' C5 ' ' C4 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.385 3 C5'-C4'-O4' 133.504 17.36 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.593 ' C4 ' ' C5 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.227 -18.838 2 C1'-O4'-C4' 115.965 7.073 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.525 ' C6 ' ' C6 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.158 -24.584 1 C1'-O4'-C4' 121.685 13.427 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.525 ' C6 ' ' C6 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.252 -16.722 3 C5'-C4'-O4' 129.476 14.483 . 0.027 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.556 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.172 -23.44 2 C1'-O4'-C4' 121.643 13.381 . 0.012 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.556 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.171 -23.538 2 C5'-C4'-O4' 127.604 13.146 . 0.385 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.655 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.076 -31.448 1 C1'-O4'-C4' 123.364 15.294 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.781 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.407 -3.851 3 C5'-C4'-O4' 138.774 21.124 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.493 ' C2 ' ' O ' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.413 -3.354 2 C5'-C4'-O4' 97.701 -8.213 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.588 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.097 -29.674 2 C1'-O4'-C4' 122.814 14.682 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.655 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.451 2 C5'-C4'-O4' 135.378 18.699 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.614 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.24 -17.737 3 C5'-C4'-O4' 128.478 13.77 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.486 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.102 -29.209 1 C1'-O4'-C4' 121.363 13.07 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.755 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.207 2 C5'-C4'-O4' 95.62 -9.7 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.755 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.077 -31.308 2 C1'-O4'-C4' 122.937 14.819 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.634 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.178 -22.937 2 C1'-O4'-C4' 121.02 12.689 . 0.108 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.634 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.373 -6.685 3 C1'-O4'-C4' 117.449 8.721 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.538 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.392 -5.07 2 C1'-O4'-C4' 116.815 8.017 . 0.131 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.546 0.212 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.67 114.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' CB ' ' OP1' ' B' ' 212' ' ' ' A' . 0.0 OUTLIER -57.27 -33.36 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' A' ' 3' ' ' LYS . . . -59.51 -20.29 50.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -58.33 -35.18 71.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 t80 -60.08 -13.95 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -58.78 -15.57 12.82 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.43 -16.76 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.11 -29.87 61.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -25.13 52.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' THR . 8.4 pttt -127.57 39.26 3.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 4.0 m 77.39 122.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.45 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.896 HG11 HG23 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -94.33 -174.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' H ' HG22 ' A' ' 13' ' ' VAL . 22.0 tttm -131.42 118.77 20.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 t -81.37 113.13 19.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.66 9.36 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -105.78 -56.49 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -92.91 -30.62 15.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 108.335 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.19 -36.9 4.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.19 172.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.28 166.33 15.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.98 -27.18 18.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 7.8 p-80 -145.96 163.88 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.896 HG23 HG11 ' A' ' 13' ' ' VAL . 41.3 pt -108.35 161.24 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.539 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -53.18 -36.2 60.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.61 -28.66 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.576 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.06 56.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.64 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 47.5 t -72.14 149.01 45.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' HG2' ' CE1' ' A' ' 23' ' ' HIS . 13.2 ptt-85 -114.79 33.09 5.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -38.78 154.04 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.6 8.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.486 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 2.4 mtt180 70.9 120.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 32' ' ' ARG . 1.3 tptm 175.28 72.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' LYS . 1.1 mttm -38.21 114.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.516 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -166.25 163.94 37.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 49.9 t -73.41 108.38 6.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -90.51 18.38 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 107.944 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -110.72 -34.01 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.82 -41.24 3.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 108.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.89 -40.38 1.75 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 118.93 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 1.1 pm0 -82.69 175.15 10.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.38 -14.2 55.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.036 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 36' ' ' CYS . 8.9 p-80 -138.59 -179.71 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.545 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.427 ' NE2' ' HB3' ' A' ' 47' ' ' LYS . 1.9 pt20 -132.79 166.43 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.464 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 28.4 ttp -53.44 -49.55 67.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HB3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -55.68 -18.14 7.33 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.526 1.141 . . . . 0.0 109.212 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.36 35.11 4.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 14.9 t -73.39 147.49 44.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 t -128.18 22.53 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.43 -59.42 2.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.5 -57.56 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.246 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.68 163.16 40.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.85 130.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.578 ' CG ' ' N ' ' A' ' 56' ' ' NH2 . 10.8 p-10 -179.55 -138.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . 0.578 ' N ' ' CG ' ' A' ' 55' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 1.05 ' HB ' " H5'" ' B' ' 201' ' ' CG1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.562 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.388 -5.455 3 C5'-C4'-O4' 133.271 17.193 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.521 " H2'" ' C8 ' ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.265 -15.69 3 C1'-O4'-C4' 115.042 6.046 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.559 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.144 -25.713 2 C5'-C4'-O4' 140.262 22.187 . 0.341 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.559 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.096 -29.726 2 C5'-C4'-O4' 130.796 15.426 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.529 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.241 -17.649 1 C1'-O4'-C4' 119.449 10.943 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.537 ' C4 ' ' C6 ' ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.331 1 O4'-C4'-C3' 92.357 -9.388 . 0.115 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.65 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.153 -25.016 2 C1'-O4'-C4' 120.174 11.749 . 0.313 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.539 ' C6 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.411 -3.514 3 C5'-C4'-O4' 149.583 28.845 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.542 " C4'" ' OP2' ' B' ' 211' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.105 -28.987 2 C1'-O4'-C4' 122.786 14.651 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.614 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.084 -30.754 1 C1'-O4'-C4' 123.352 15.28 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.65 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.643 3 C5'-C4'-O4' 142.024 23.446 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.512 " C5'" " O2'" ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.128 -27.104 2 C1'-O4'-C4' 121.273 12.97 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.508 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.103 -29.173 1 C1'-O4'-C4' 121.14 12.822 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.7 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.042 2 C5'-C4'-O4' 96.164 -9.311 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.7 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.154 -24.877 2 C5'-C4'-O4' 140.713 22.509 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.605 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.148 -25.414 2 C5'-C4'-O4' 129.348 14.391 . 0.338 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.605 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.395 -4.807 2 C5'-C4'-O4' 140.632 22.452 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.557 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.15 -25.271 2 C5'-C4'-O4' 141.933 23.381 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.52 0.2 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -39.47 136.14 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -40.49 83.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.81 -25.29 58.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.612 1.195 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.87 -35.35 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 0.717 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.588 ' CE1' HD13 ' A' ' 24' ' ' ILE . 11.7 t80 -60.04 -13.84 13.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -59.42 -14.94 14.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.513 HD21 HG23 ' A' ' 13' ' ' VAL . 1.1 p-10 -61.24 -14.07 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.538 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 2.3 tt0 -56.21 -29.35 60.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -20.66 20.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 12' ' ' THR . 14.9 mttt -128.19 41.53 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.1 m 83.55 150.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.439 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.715 HG22 ' H ' ' A' ' 14' ' ' LYS . 2.8 p -125.77 -175.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.715 ' H ' HG22 ' A' ' 13' ' ' VAL . 7.0 ttpt -130.34 122.12 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 t -89.44 112.97 24.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 1.1 p90 -82.72 7.05 16.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 5.2 t30 -102.9 -58.17 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -91.45 -32.7 15.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 108.267 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.25 -36.63 4.27 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.69 175.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 0.727 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.3 159.84 30.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.707 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 114.35 -32.31 5.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.609 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 12.2 p-80 -140.05 170.41 15.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 0.786 . . . . 0.0 109.641 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.845 HD11 ' HD2' ' A' ' 26' ' ' LYS . 20.7 pt -113.12 162.22 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.372 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.55 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.6 -36.1 64.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.845 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.96 -28.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.57 ' HB2' ' C2 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.11 56.8 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.609 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 47.4 t -73.13 147.72 44.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 108.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -125.16 36.49 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.29 133.78 94.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.22 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 50.42 2.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.35 146.42 47.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 0.0 110.31 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -93.06 -74.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -151.13 115.78 5.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -159.05 152.89 24.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' HIS . 42.1 t -71.75 104.84 3.53 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.36 15.74 8.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 107.989 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -104.17 -33.44 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.4 p -110.45 -44.4 3.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.93 29.86 2.48 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.8 117.25 25.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 13.9 pt-20 -74.57 164.88 26.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.64 -24.34 31.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.568 1.168 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.2 p-80 -137.51 -174.31 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.448 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.8 pt20 -132.94 168.82 17.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.415 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 5.5 tmm? -53.73 -43.02 68.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.62 -24.86 23.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -126.02 32.81 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.391 1.057 . . . . 0.0 109.337 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.486 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 18.1 t -56.28 151.39 12.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.247 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 p -127.18 24.65 6.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.456 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.21 65.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -82.59 141.38 32.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.2 122.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.229 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.31 75.88 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 177.18 131.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.526 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.529 " H2'" ' C6 ' ' B' ' 203' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.397 -4.645 3 C5'-C4'-O4' 129.076 14.197 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.529 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.293 -13.352 2 O4'-C4'-C3' 97.025 -6.053 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.468 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.171 -23.46 2 C5'-C4'-O4' 133.804 17.574 . 0.124 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.536 " H2'" " C1'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.211 -20.134 2 C5'-C4'-O4' 122.414 9.438 . 0.106 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.536 " C1'" " H2'" ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.223 -19.2 1 C1'-O4'-C4' 120.615 12.239 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.526 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.239 -17.857 3 C1'-O4'-C4' 118.239 9.599 . 0.28 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.507 ' N2 ' ' C5 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.106 -28.887 1 C1'-O4'-C4' 122.22 14.022 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.495 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.408 -3.727 3 C5'-C4'-O4' 127.236 12.883 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.518 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.398 -4.6 2 C5'-C4'-O4' 94.606 -10.424 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.593 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.128 -27.078 2 C1'-O4'-C4' 121.344 13.049 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.559 ' P ' " O2'" ' B' ' 211' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.628 2 C5'-C4'-O4' 138.524 20.946 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.595 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.095 -29.808 2 C5'-C4'-O4' 131.324 15.803 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.55 ' C4 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.202 -20.906 2 C5'-C4'-O4' 144.567 25.262 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.804 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.398 -4.563 1 C5'-C4'-O4' 124.189 10.707 . 0.0 OUTLIER '7D dist 5n wannabe' 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.804 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.152 -25.058 2 C5'-C4'-O4' 138.945 21.246 . 0.181 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.593 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.16 -24.413 2 C5'-C4'-O4' 131.051 15.608 . 0.096 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.593 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.395 -4.856 2 O4'-C4'-C3' 93.529 -8.551 . 0.335 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.551 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.392 -5.068 2 O4'-C4'-C3' 93.587 -8.51 . 0.158 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.7 mtt . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.502 0.191 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 179.14 -59.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' CB ' ' OP1' ' B' ' 212' ' ' ' A' . 4.0 ptmm? -59.82 -43.32 94.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.54 -20.05 44.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -62.73 -37.53 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.76 ' CE1' HD13 ' A' ' 24' ' ' ILE . 3.9 t80 -60.23 -14.3 17.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 7.7 mmt85 -59.35 -15.22 15.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -59.55 -16.17 23.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 1.8 tt0 -56.68 -29.49 62.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -25.11 47.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -128.09 39.89 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 3.9 m 77.63 123.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.713 HG11 HG23 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -93.75 -175.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.564 ' H ' HG22 ' A' ' 13' ' ' VAL . 1.8 ttpm? -136.74 120.39 17.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 t -78.07 111.81 14.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 108.322 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -83.58 8.16 15.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 6.6 t30 -102.74 -56.45 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -92.3 -32.47 15.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.338 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . 109.75 -37.2 3.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -46.58 171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -122.61 160.62 25.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.494 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 112.74 -31.23 6.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 15.3 p-80 -140.72 174.34 10.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.62 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.76 HD13 ' CE1' ' A' ' 6' ' ' PHE . 36.6 pt -117.59 162.61 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -54.02 -37.78 64.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.61 -28.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.467 ' HB2' ' C6 ' ' B' ' 215' ' ' ' A' . 0.1 OUTLIER -150.77 57.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 53.9 t -72.54 131.82 43.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.328 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' PRO . 1.9 ttt180 -65.66 -34.29 77.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 29' ' ' ARG . . . -39.07 99.7 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' ARG . 18.5 Cg_endo -74.91 49.02 2.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -75.04 117.94 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 5.2 ptpt -66.49 -53.87 30.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 4.2 mttt -173.21 115.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' HIS . . . -160.62 151.32 21.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.503 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 43.8 t -77.2 107.27 9.46 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -89.32 14.31 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.014 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -102.07 -36.88 8.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.4 1.062 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 27.3 p -109.08 -42.25 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 108.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.4 28.47 3.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 116.68 27.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.7 155.88 38.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.0 -30.0 8.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.503 ' CD2' ' HB2' ' A' ' 36' ' ' CYS . 27.4 p-80 -131.17 -176.33 3.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 109.567 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.434 ' NE2' ' CB ' ' A' ' 47' ' ' LYS . 1.3 pt20 -132.47 169.13 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ttt -53.35 -51.11 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' CB ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -55.53 -18.1 6.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -125.61 37.38 4.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.9 t -80.51 148.8 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -139.75 29.56 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -139.61 60.81 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.93 167.96 22.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.185 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.4 132.55 36.67 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.64 111.56 19.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -137.92 -31.44 0.78 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.57 1.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.102 -29.286 2 C1'-O4'-C4' 122.727 14.586 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.54 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.374 -6.587 1 O4'-C4'-C3' 93.452 -8.605 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.556 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.161 -24.321 2 C5'-C4'-O4' 141.222 22.873 . 0.112 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.556 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.096 -29.72 2 C5'-C4'-O4' 130.847 15.462 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.562 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.22 -19.436 1 C1'-O4'-C4' 119.844 11.383 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.562 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.41 2 O4'-C4'-C3' 92.684 -9.154 . 0.799 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.647 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.199 -21.193 1 C1'-O4'-C4' 118.014 9.349 . 0.186 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.454 " O2'" ' C5 ' ' B' ' 210' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.402 -4.213 3 C5'-C4'-O4' 142.852 24.037 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.454 ' C5 ' " O2'" ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.276 2 C5'-C4'-O4' 135.734 18.953 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.581 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.079 -31.148 1 C1'-O4'-C4' 123.409 15.344 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.647 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.62 2 C5'-C4'-O4' 136.915 19.796 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.516 " H2'" ' C5 ' ' B' ' 214' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.107 -28.831 2 C1'-O4'-C4' 122.362 14.18 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.516 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.105 -29.012 2 C1'-O4'-C4' 122.932 14.813 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.802 ' C6 ' ' C4 ' ' B' ' 216' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.402 -4.277 2 C1'-O4'-C4' 115.061 6.068 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.802 ' C4 ' ' C6 ' ' B' ' 215' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.103 -29.133 2 C5'-C4'-O4' 133.319 17.228 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.56 " H2'" ' C6 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.161 -24.3 2 C5'-C4'-O4' 130.27 15.05 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.56 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.303 -12.511 2 C5'-C4'-O4' 135.596 18.854 OUTLIER-DELTA 0.024 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.546 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.383 -5.863 3 C1'-O4'-C4' 118.196 9.551 . 0.079 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.472 0.177 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 39.12 67.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -58.08 -27.5 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.46 -16.98 38.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -57.75 -35.32 70.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 109.371 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.701 ' CZ ' ' CD1' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -59.16 -14.25 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -17.64 9.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.83 -14.79 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.89 -31.79 63.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -58.31 -24.97 61.28 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 12' ' ' THR . 2.1 mmtp -119.72 26.02 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 22' ' ' GLY . 1.7 m 83.66 126.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 23' ' ' HIS . 1.1 p -89.27 -172.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.634 ' H ' HG22 ' A' ' 13' ' ' VAL . 11.5 tttm -129.79 110.41 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 35.3 t -74.99 113.17 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 61.3 t80 -80.99 16.5 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.556 ' CB ' ' HB2' ' A' ' 25' ' ' ALA . 3.9 t30 -115.8 -66.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -82.99 -16.99 45.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 108.328 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 76.84 20.0 76.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -171.7 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' OE1' HG21 ' A' ' 12' ' ' THR . 11.3 pt-20 -133.59 150.25 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.581 ' N ' HG22 ' A' ' 12' ' ' THR . . . 111.02 -31.46 7.23 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.651 ' N ' HG12 ' A' ' 13' ' ' VAL . 16.1 p-80 -140.38 167.32 22.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 0.714 . . . . 0.0 109.556 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.701 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 7.0 pt -115.88 156.46 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.556 ' HB2' ' CB ' ' A' ' 17' ' ' ASN . . . -53.29 -37.0 61.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.66 ' HD2' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.43 -28.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.603 1.189 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.582 ' HB2' ' C5 ' ' B' ' 215' ' ' ' A' . 0.2 OUTLIER -149.83 56.56 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.617 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.6 t -69.8 154.63 41.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 108.286 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.54 21.39 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.1 116.53 55.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 50.84 2.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.428 1.752 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -106.84 135.55 48.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.16 -72.66 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -150.78 114.68 5.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 42' ' ' GLU . . . -164.13 154.0 24.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' HIS . 42.3 t -73.19 105.34 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.98 15.92 7.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 108.032 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -34.53 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.6 p -110.16 -44.38 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 108.327 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.86 29.57 2.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.155 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.88 115.0 22.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -73.15 159.98 32.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.19 -27.33 17.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.484 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 23.6 p-80 -134.31 -174.65 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.75 . . . . 0.0 109.569 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' CD ' ' CB ' ' A' ' 47' ' ' LYS . 1.7 pt20 -132.71 168.26 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.42 1.075 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.412 ' HB3' ' N7 ' ' B' ' 209' ' ' ' G' . 6.6 ttp -53.35 -43.36 67.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.449 ' CB ' ' CD ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.73 -25.38 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.22 34.61 4.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 19.0 t -58.25 151.31 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 108.287 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.6 p -88.2 -26.09 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.05 62.04 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -60.14 124.25 19.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 74.75 -59.52 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 56' ' ' NH2 . . . 62.61 78.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 59.77 -32.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . 0.731 ' N ' ' O ' ' A' ' 54' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' CG1 . . . . . 0.56 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.56 ' C6 ' ' C6 ' ' B' ' 201' ' ' CG1 . . . . . . . . 1 O4'--C4' 1.355 -8.193 3 C5'-C4'-O4' 134.553 18.109 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' ' C' . . . . . 0.516 ' C6 ' " H2'" ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.266 -15.554 2 C1'-O4'-C4' 115.811 6.901 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' ' G' . . . . . 0.581 " H2'" ' C8 ' ' B' ' 205' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.189 -21.993 2 C5'-C4'-O4' 142.469 23.764 . 0.298 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' ' A' . . . . . 0.581 ' C8 ' " H2'" ' B' ' 204' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.099 -29.49 2 C5'-C4'-O4' 131.082 15.63 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' ' C' . . . . . 0.564 " H2'" ' C6 ' ' B' ' 207' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.185 -22.354 2 C5'-C4'-O4' 132.227 16.448 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 207' ' ' ' U' . . . . . 0.564 ' C6 ' " H2'" ' B' ' 206' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.22 -19.416 2 C5'-C4'-O4' 134.579 18.128 OUTLIER-DELTA 0.042 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 208' ' ' ' G' . . . . . 0.66 ' N2 ' ' C6 ' ' B' ' 212' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.259 -16.18 1 C5'-C4'-O4' 145.051 25.608 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.519 ' C5 ' ' CE3' ' A' ' 37' ' ' TRP . . . . . . . . 0 O4'--C4' 1.407 -3.815 2 C5'-C4'-O4' 152.416 30.868 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' ' U' . . . . . 0.553 ' C2 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.41 -3.563 3 C5'-C4'-O4' 146.501 26.644 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' B' B ' 211' ' ' ' G' . . . . . 0.469 ' C5 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.069 -31.978 1 C1'-O4'-C4' 123.568 15.52 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' B' B ' 212' ' ' ' A' . . . . . 0.66 ' C6 ' ' N2 ' ' B' ' 208' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.077 2 C5'-C4'-O4' 135.771 18.979 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.574 " H4'" ' NZ ' ' A' ' 26' ' ' LYS . . . . . . . . 1 O4'--C4' 1.188 -22.052 2 C5'-C4'-O4' 128.799 13.999 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 214' ' ' ' U' . . . . . 0.455 ' C5 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.096 -29.728 1 C1'-O4'-C4' 122.723 14.581 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' B' B ' 215' ' ' ' A' . . . . . 0.582 ' C5 ' ' HB2' ' A' ' 27' ' ' ASN . . . . . . . . 1 O4'--C4' 1.403 -4.207 2 C5'-C4'-O4' 97.94 -8.043 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' B' B ' 216' ' ' ' C' . . . . . 0.528 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.088 -30.388 2 C5'-C4'-O4' 134.568 18.12 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.594 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.177 -22.968 2 C5'-C4'-O4' 126.989 12.706 . 0.013 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 218' ' ' ' C' . . . . . 0.594 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.224 -19.071 2 C1'-O4'-C4' 120.788 12.432 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.546 ' C6 ' " H2'" ' B' ' 218' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.395 -4.81 3 C1'-O4'-C4' 117.54 8.823 . 0.55 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_