data_1rgj_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 1rgj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.481 HG12 ' HB2' ' A' ' 63' ' ' ASP . 1.3 tt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.297 -0.631 . . . . 99.989999999999995 109.297 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.673 ' O ' ' HA ' ' A' ' 63' ' ' ASP . 68.5 t -115.19 137.71 47.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.343 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.459 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 33.3 t -146.97 141.94 27.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 108.342 179.985 -170.468 115.824 24.622 125.726 1.464 108.173 85.329 168.815 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.641 ' CG ' ' HB1' ' A' ' 13' ' ' ALA . 58.2 m80 -60.01 130.16 45.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.544 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.562 ' HA ' ' O ' ' A' ' 42' ' ' LEU . 4.0 m -125.2 129.14 49.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.399 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.65 ' CG2' ' HA ' ' B' ' 2' ' ' ARG . 10.2 t -90.45 4.22 51.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 110.388 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -43.57 -47.07 7.35 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.315 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -79.73 153.27 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.414 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.59 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -41.27 -60.45 1.77 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.012 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.59 ' HD3' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.99 -159.18 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.574 1.828 . . . . 99.989999999999995 111.014 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.676 ' CG2' ' CZ ' ' B' ' 3' ' ' TYR . 1.9 mp -118.26 151.43 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.361 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 m -179.63 -179.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 99.989999999999995 110.048 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.641 ' HB1' ' CG ' ' A' ' 4' ' ' HIS . . . -146.56 124.9 12.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.216 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG11 ' N ' ' A' ' 15' ' ' THR . 0.4 OUTLIER -122.48 176.4 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.271 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -91.26 112.75 24.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.421 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.175 ' SG ' ' CB ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -47.61 172.37 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 108.377 -179.987 -117.289 59.461 77.052 124.123 0.888 111.994 109.637 73.592 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.522 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -75.02 179.8 5.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 99.989999999999995 110.991 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.9 29.08 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 99.989999999999995 111.0 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 17' ' ' PRO . . . -135.73 -1.82 2.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 111.001 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 45' ' ' ALA . 5.6 mt-10 -140.33 125.53 18.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 99.989999999999995 110.252 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 1' ' ' ILE . 30.1 t30 -125.87 1.17 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.056 . . . . 99.989999999999995 109.349 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -101.44 -176.59 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 109.264 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.687 ' SG ' ' HB2' ' A' ' 66' ' ' ASN . 12.2 t -142.34 139.38 31.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 108.399 179.91 168.815 85.329 24.622 108.173 1.464 125.726 115.824 -170.468 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.651 ' CE2' ' HA3' ' A' ' 43' ' ' GLY . 11.1 p90 -125.27 -177.48 3.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.948 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.473 ' O ' ' O ' ' A' ' 26' ' ' LYS . 6.0 tmm_? -168.14 89.07 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.278 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.698 ' HA ' ' HA ' ' A' ' 57' ' ' VAL . 0.4 OUTLIER -45.88 174.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.308 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.506 ' CG ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER 177.03 137.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.934 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.58 ' CD1' ' HB ' ' A' ' 39' ' ' VAL . 1.1 p-90 -175.35 143.49 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 108.007 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.718 ' HA ' ' H ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -61.67 83.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 108.292 179.933 -104.48 -90.414 -1.842 127.389 1.643 100.527 130.09 -172.269 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.7 ' OD1' ' C ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -43.45 177.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.303 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.4 44.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.296 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 1.5 t80 -176.77 32.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 111.034 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.89 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 38.4 t -49.85 -14.74 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 108.372 179.995 -172.269 130.09 -1.842 100.527 1.643 127.389 -90.414 -104.48 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.49 ' N ' ' C ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -64.58 -43.8 92.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 110.012 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.28 -46.05 2.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.07 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.619 ' HD3' ' CB ' ' B' ' 6' ' ' SER . 3.0 mtt-85 -91.24 -92.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 110.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.89 ' HA3' ' HA ' ' A' ' 33' ' ' CYS . . . 57.07 161.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.912 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.718 ' H ' ' HA ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 59.52 83.81 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 0.728 . . . . 99.989999999999995 109.33 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.625 HG22 ' CG ' ' A' ' 30' ' ' ASP . 2.8 t -90.0 109.25 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 109.316 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.605 HG22 ' HD3' ' A' ' 69' ' ' PRO . 2.0 t -88.16 112.27 23.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.291 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 42' ' ' LEU . 53.1 tt0 -95.44 52.56 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.629 1.206 . . . . 99.989999999999995 110.395 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.689 ' CD1' ' O ' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -27.0 141.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.207 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.828 ' O ' ' SG ' ' A' ' 3' ' ' CYS . . . 178.22 -161.64 28.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.923 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 1.175 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . 15.6 p -130.79 169.66 15.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.276 -1.009 . . . . 99.989999999999995 108.276 -179.994 73.592 109.637 77.052 111.994 0.888 124.123 59.461 -117.289 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 22' ' ' LEU . . . -172.79 168.83 5.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -96.08 -8.84 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.35 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.629 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER 179.33 -165.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.488 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.476 ' CB ' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -124.79 112.41 27.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 108.237 -179.893 2.948 -147.558 97.347 91.28 2.151 79.39 177.362 31.343 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -158.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.482 1.78 . . . . 99.989999999999995 110.973 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.724 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -57.68 -72.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.035 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.724 ' HB2' ' O ' ' A' ' 50' ' ' SER . 11.0 mtmm 99.79 165.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.2 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -95.31 170.34 7.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.266 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 -32.88 4.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 99.989999999999995 110.928 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.508 ' OH ' ' CB ' ' A' ' 29' ' ' CYS . 2.3 t80 -105.22 -41.22 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 110.992 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' HA ' ' HB3' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -101.74 99.89 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.264 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -119.25 147.69 43.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 99.989999999999995 110.245 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.698 ' HA ' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -116.68 129.21 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.313 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.867 ' HB ' HD22 ' A' ' 66' ' ' ASN . 4.8 m -65.19 -171.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.504 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -161.81 151.62 16.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 108.303 179.987 31.343 177.362 97.347 79.39 2.151 91.28 -147.558 2.948 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.422 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -164.1 159.01 19.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 108.277 -179.952 -140.374 -161.038 51.531 100.752 1.429 144.783 -142.806 155.591 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.442 ' C ' ' OG1' ' A' ' 62' ' ' THR . 8.9 t -117.25 44.45 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.047 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.449 ' HA ' HD11 ' A' ' 1' ' ' ILE . 2.2 m -156.82 156.29 32.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.457 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.673 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 45.0 t0 -70.36 147.99 48.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.368 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.665 ' HG2' ' CG ' ' A' ' 63' ' ' ASP . 7.9 mmtp 40.83 46.04 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.269 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.422 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -107.6 -1.71 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 108.236 -179.975 155.591 -142.806 51.531 144.783 1.429 100.752 -161.038 -140.374 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 1.687 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 2.2 m120 -133.86 61.11 50.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.283 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.518 ' C ' HD12 ' A' ' 42' ' ' LEU . 18.1 Cg_endo -75.04 -177.99 3.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.436 1.756 . . . . 99.989999999999995 111.033 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.842 ' CE1' ' O ' ' B' ' 3' ' ' TYR . 80.2 t60 -85.75 149.75 51.81 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.607 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.813 ' HD2' ' CG ' ' A' ' 68' ' ' HIS . 18.3 Cg_endo -74.99 6.12 3.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.487 1.783 . . . . 99.989999999999995 111.0 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.63 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -151.17 12.3 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.262 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.618 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.8 OUTLIER -19.4 131.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.255 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.563 ' N ' HD11 ' B' ' 8' ' ' LEU . 1.2 ttm105 168.26 141.43 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.488 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -74.94 168.34 25.05 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.453 1.765 . . . . 99.989999999999995 111.024 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.911 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 111.0 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.496 0.189 . . . . 99.989999999999995 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.65 ' HA ' ' CG2' ' A' ' 6' ' ' THR . 0.0 OUTLIER -101.91 -174.89 2.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.326 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.893 ' O ' ' O ' ' B' ' 4' ' ' TYR . 12.6 m-85 -94.37 17.57 12.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 111.022 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.893 ' O ' ' O ' ' B' ' 3' ' ' TYR . 58.3 m-85 4.66 128.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 111.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.416 ' HB2' ' HB2' ' A' ' 38' ' ' LYS . 1.7 tm-20 -40.58 -18.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.619 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 2.9 p -62.32 -49.08 77.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.006 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.506 ' HB2' ' HB2' ' B' ' 13' ' ' ASP . 58.9 m -158.47 -119.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.033 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.631 ' HG ' ' HB3' ' B' ' 3' ' ' TYR . 1.3 mp -155.4 22.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 109.301 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.549 ' HB2' ' C ' ' B' ' 13' ' ' ASP . 11.4 mt-10 -87.49 145.13 36.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 110.235 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.56 ' HG3' ' C ' ' A' ' 9' ' ' SER . 18.7 Cg_endo -74.88 50.61 2.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 99.989999999999995 111.039 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.433 ' CD1' ' O ' ' B' ' 10' ' ' PRO . 5.7 m95 174.93 66.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 99.989999999999995 108.06 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.886 ' HA ' ' CG ' ' B' ' 4' ' ' TYR . 1.6 p30 43.84 65.39 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.285 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . 0.549 ' C ' ' HB2' ' B' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 109.372 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.491 HG12 ' HB2' ' A' ' 63' ' ' ASP . 1.3 tt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.297 -0.631 . . . . 99.989999999999995 109.297 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 1.011 ' CG2' HG23 ' A' ' 15' ' ' THR . 68.5 t -115.19 137.71 47.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.343 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.357 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 33.3 t -146.97 141.94 27.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 108.342 179.985 -170.468 115.824 24.622 125.726 1.464 108.173 85.329 168.815 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.631 ' CG ' ' HB2' ' A' ' 13' ' ' ALA . 82.6 m-70 -60.01 130.16 45.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.544 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.596 HG23 ' HA2' ' A' ' 43' ' ' GLY . 4.0 m -125.2 129.14 49.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.399 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.665 ' CG2' ' HA ' ' B' ' 2' ' ' ARG . 10.2 t -90.45 4.22 51.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 110.388 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -43.57 -47.07 7.35 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.315 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -79.73 153.27 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.414 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -41.27 -60.45 1.77 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.012 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.99 -159.18 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.574 1.828 . . . . 99.989999999999995 111.014 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.208 HG23 ' CZ ' ' B' ' 3' ' ' TYR . 1.9 mp -118.26 151.43 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.361 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 3.1 m -179.63 -179.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 99.989999999999995 110.048 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.631 ' HB2' ' CG ' ' A' ' 4' ' ' HIS . . . -146.56 124.9 12.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.216 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.651 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -122.48 176.4 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.271 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 1.011 HG23 ' CG2' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -91.26 112.75 24.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.421 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.175 ' SG ' ' CB ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -47.61 172.37 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 108.377 -179.987 -117.289 59.461 77.052 124.123 0.888 111.994 109.637 73.592 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -75.02 179.8 5.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 99.989999999999995 110.991 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.537 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.9 29.08 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 99.989999999999995 111.0 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.799 ' O ' ' HB2' ' A' ' 46' ' ' ALA . . . -135.73 -1.82 2.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 111.001 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 5.6 mt-10 -140.33 125.53 18.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 99.989999999999995 110.252 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -125.87 1.17 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.056 . . . . 99.989999999999995 109.349 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -101.44 -176.59 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 109.264 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.686 ' SG ' ' HB2' ' A' ' 66' ' ' ASN . 12.2 t -142.34 139.38 31.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 108.399 179.91 168.815 85.329 24.622 108.173 1.464 125.726 115.824 -170.468 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.65 ' CE2' ' HA3' ' A' ' 43' ' ' GLY . 11.1 p90 -125.27 -177.48 3.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.948 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.599 ' CG ' HG22 ' A' ' 40' ' ' VAL . 6.0 tmm_? -168.14 89.07 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.278 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 57' ' ' VAL . 0.4 OUTLIER -45.88 174.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.308 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.516 ' HG2' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER 177.03 137.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.934 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.58 ' CD1' ' HB ' ' A' ' 39' ' ' VAL . 1.1 p-90 -175.35 143.49 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 108.007 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.695 ' HA ' ' H ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -61.67 83.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 108.292 179.933 -104.48 -90.414 -1.842 127.389 1.643 100.527 130.09 -172.269 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.7 ' OD1' ' C ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -43.45 177.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.303 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.4 44.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.296 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 1.5 t80 -176.77 32.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 111.034 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.882 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 38.4 t -49.85 -14.74 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 108.372 179.995 -172.269 130.09 -1.842 100.527 1.643 127.389 -90.414 -104.48 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.49 ' N ' ' C ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -64.58 -43.8 92.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 110.012 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.28 -46.05 2.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.07 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.619 ' HD3' ' CB ' ' B' ' 6' ' ' SER . 3.0 mtt-85 -91.24 -92.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 110.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.882 ' HA3' ' HA ' ' A' ' 33' ' ' CYS . . . 57.07 161.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.912 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.695 ' H ' ' HA ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 59.52 83.81 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 0.728 . . . . 99.989999999999995 109.33 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.692 HG22 ' CG ' ' A' ' 30' ' ' ASP . 2.8 t -90.0 109.25 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 109.316 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.852 HG21 ' HD3' ' A' ' 69' ' ' PRO . 2.0 t -88.16 112.27 23.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.291 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 42' ' ' LEU . 53.1 tt0 -95.44 52.56 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.629 1.206 . . . . 99.989999999999995 110.395 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.798 HD11 ' O ' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -27.0 141.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.207 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.828 ' O ' ' SG ' ' A' ' 3' ' ' CYS . . . 178.22 -161.64 28.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.923 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 1.175 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . 15.6 p -130.79 169.66 15.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.276 -1.009 . . . . 99.989999999999995 108.276 -179.994 73.592 109.637 77.052 111.994 0.888 124.123 59.461 -117.289 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 22' ' ' LEU . . . -172.79 168.83 5.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.987 ' O ' HG23 ' A' ' 47' ' ' THR . . . -96.08 -8.84 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.35 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.987 HG23 ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER 179.33 -165.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.488 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.488 ' HB2' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -124.79 112.41 27.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 108.237 -179.893 2.948 -147.558 97.347 91.28 2.151 79.39 177.362 31.343 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -158.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.482 1.78 . . . . 99.989999999999995 110.973 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.694 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -57.68 -72.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.035 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 50' ' ' SER . 11.0 mtmm 99.79 165.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.2 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -95.31 170.34 7.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.266 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 -32.88 4.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 99.989999999999995 110.928 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.508 ' OH ' ' CB ' ' A' ' 29' ' ' CYS . 2.3 t80 -105.22 -41.22 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 110.992 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.465 ' OE2' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -101.74 99.89 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.264 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -119.25 147.69 43.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 99.989999999999995 110.245 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.625 ' HA ' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -116.68 129.21 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.313 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 59' ' ' CYS . 4.8 m -65.19 -171.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.504 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.707 ' H ' HG22 ' A' ' 58' ' ' THR . 0.8 OUTLIER -161.81 151.62 16.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 108.303 179.987 31.343 177.362 97.347 79.39 2.151 91.28 -147.558 2.948 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.422 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -164.1 159.01 19.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 108.277 -179.952 -140.374 -161.038 51.531 100.752 1.429 144.783 -142.806 155.591 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.442 ' C ' ' OG1' ' A' ' 62' ' ' THR . 8.9 t -117.25 44.45 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.047 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.442 ' OG1' ' C ' ' A' ' 61' ' ' SER . 2.2 m -156.82 156.29 32.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.457 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.706 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 45.0 t0 -70.36 147.99 48.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.368 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.667 ' HG2' ' CG ' ' A' ' 63' ' ' ASP . 7.9 mmtp 40.83 46.04 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.269 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.422 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -107.6 -1.71 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 108.236 -179.975 155.591 -142.806 51.531 144.783 1.429 100.752 -161.038 -140.374 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 1.686 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 1.6 m-80 -133.86 61.11 50.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.283 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.486 ' HD3' ' N ' ' A' ' 66' ' ' ASN . 18.1 Cg_endo -75.04 -177.99 3.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.436 1.756 . . . . 99.989999999999995 111.033 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.842 ' CE1' ' O ' ' B' ' 3' ' ' TYR . 80.2 t60 -85.75 149.75 51.81 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.607 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.852 ' HD3' HG21 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -74.99 6.12 3.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.487 1.783 . . . . 99.989999999999995 111.0 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.63 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -151.17 12.3 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.262 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.618 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.8 OUTLIER -19.4 131.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.255 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.527 ' N ' HD13 ' B' ' 8' ' ' LEU . 1.2 ttm105 168.26 141.43 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -74.94 168.34 25.05 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.453 1.765 . . . . 99.989999999999995 111.024 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.911 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 111.0 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.496 0.189 . . . . 99.989999999999995 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.665 ' HA ' ' CG2' ' A' ' 6' ' ' THR . 0.0 OUTLIER -101.91 -174.89 2.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.326 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 1.208 ' CZ ' HG23 ' A' ' 11' ' ' ILE . 12.6 m-85 -94.37 17.57 12.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 111.022 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.893 ' O ' ' O ' ' B' ' 3' ' ' TYR . 58.3 m-85 4.66 128.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 111.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 38' ' ' LYS . 1.7 tm-20 -40.58 -18.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.619 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 2.9 p -62.32 -49.08 77.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.006 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.499 ' O ' ' O ' ' B' ' 3' ' ' TYR . 58.9 m -158.47 -119.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.033 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.837 HD23 HG12 ' A' ' 11' ' ' ILE . 1.3 mp -155.4 22.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 109.301 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.541 ' HB2' ' C ' ' B' ' 13' ' ' ASP . 11.4 mt-10 -87.49 145.13 36.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 110.235 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.559 ' HG3' ' C ' ' A' ' 9' ' ' SER . 18.7 Cg_endo -74.88 50.61 2.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 99.989999999999995 111.039 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.433 ' CD1' ' O ' ' B' ' 10' ' ' PRO . 5.7 m95 174.93 66.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 99.989999999999995 108.06 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.869 ' HA ' ' CG ' ' B' ' 4' ' ' TYR . 1.6 p30 43.84 65.39 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.285 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASP . . . . . 0.541 ' C ' ' HB2' ' B' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 109.372 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.491 HG12 ' HB2' ' A' ' 63' ' ' ASP . 1.3 tt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.297 -0.631 . . . . 99.989999999999995 109.297 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 1.011 ' CG2' HG23 ' A' ' 15' ' ' THR . 68.5 t -115.19 137.71 47.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.343 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.357 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 33.3 t -146.97 141.94 27.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 108.342 179.985 -170.468 115.824 24.622 125.726 1.464 108.173 85.329 168.815 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.658 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 58.2 m80 -60.01 130.16 45.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.544 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.596 HG23 ' HA2' ' A' ' 43' ' ' GLY . 4.0 m -125.2 129.14 49.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.399 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.665 ' CG2' ' HA ' ' B' ' 2' ' ' ARG . 10.2 t -90.45 4.22 51.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 110.388 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -43.57 -47.07 7.35 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.315 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.2 p -79.73 153.27 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.414 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -41.27 -60.45 1.77 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.012 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.99 -159.18 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.574 1.828 . . . . 99.989999999999995 111.014 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.208 HG23 ' CZ ' ' B' ' 3' ' ' TYR . 1.9 mp -118.26 151.43 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.361 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 3.1 m -179.63 -179.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 99.989999999999995 110.048 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.658 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -146.56 124.9 12.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.216 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.651 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -122.48 176.4 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.271 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 1.011 HG23 ' CG2' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -91.26 112.75 24.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.421 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.175 ' SG ' ' CB ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -47.61 172.37 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 108.377 -179.987 -117.289 59.461 77.052 124.123 0.888 111.994 109.637 73.592 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -75.02 179.8 5.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 99.989999999999995 110.991 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.537 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.9 29.08 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 99.989999999999995 111.0 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.799 ' O ' ' HB2' ' A' ' 46' ' ' ALA . . . -135.73 -1.82 2.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 111.001 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 5.6 mt-10 -140.33 125.53 18.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 99.989999999999995 110.252 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -125.87 1.17 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.389 1.056 . . . . 99.989999999999995 109.349 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -101.44 -176.59 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 109.264 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.686 ' SG ' ' HB2' ' A' ' 66' ' ' ASN . 12.2 t -142.34 139.38 31.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 108.399 179.91 168.815 85.329 24.622 108.173 1.464 125.726 115.824 -170.468 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.65 ' CE2' ' HA3' ' A' ' 43' ' ' GLY . 11.1 p90 -125.27 -177.48 3.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.948 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.599 ' CG ' HG22 ' A' ' 40' ' ' VAL . 6.0 tmm_? -168.14 89.07 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.278 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 57' ' ' VAL . 0.4 OUTLIER -45.88 174.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.308 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.516 ' HG2' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER 177.03 137.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.934 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.58 ' CD1' ' HB ' ' A' ' 39' ' ' VAL . 1.1 p-90 -175.35 143.49 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 108.007 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.695 ' HA ' ' H ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -61.67 83.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 108.292 179.933 -104.48 -90.414 -1.842 127.389 1.643 100.527 130.09 -172.269 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.7 ' OD1' ' C ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -43.45 177.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.303 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.4 44.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.296 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 1.5 t80 -176.77 32.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 111.034 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.882 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 38.4 t -49.85 -14.74 0.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 108.372 179.995 -172.269 130.09 -1.842 100.527 1.643 127.389 -90.414 -104.48 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.49 ' N ' ' C ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -64.58 -43.8 92.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 110.012 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.28 -46.05 2.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.07 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.619 ' HD3' ' CB ' ' B' ' 6' ' ' SER . 3.0 mtt-85 -91.24 -92.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 110.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.882 ' HA3' ' HA ' ' A' ' 33' ' ' CYS . . . 57.07 161.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.912 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.695 ' H ' ' HA ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 59.52 83.81 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 0.728 . . . . 99.989999999999995 109.33 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.692 HG22 ' CG ' ' A' ' 30' ' ' ASP . 2.8 t -90.0 109.25 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 109.316 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.852 HG21 ' HD3' ' A' ' 69' ' ' PRO . 2.0 t -88.16 112.27 23.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.291 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 42' ' ' LEU . 53.1 tt0 -95.44 52.56 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.629 1.206 . . . . 99.989999999999995 110.395 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.798 HD11 ' O ' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -27.0 141.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.207 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.828 ' O ' ' SG ' ' A' ' 3' ' ' CYS . . . 178.22 -161.64 28.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.923 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 1.175 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . 15.6 p -130.79 169.66 15.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.276 -1.009 . . . . 99.989999999999995 108.276 -179.994 73.592 109.637 77.052 111.994 0.888 124.123 59.461 -117.289 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 22' ' ' LEU . . . -172.79 168.83 5.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.987 ' O ' HG23 ' A' ' 47' ' ' THR . . . -96.08 -8.84 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.35 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.987 HG23 ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER 179.33 -165.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.488 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.488 ' HB2' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -124.79 112.41 27.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 108.237 -179.893 2.948 -147.558 97.347 91.28 2.151 79.39 177.362 31.343 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -158.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.482 1.78 . . . . 99.989999999999995 110.973 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.694 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -57.68 -72.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.035 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 50' ' ' SER . 11.0 mtmm 99.79 165.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.2 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -95.31 170.34 7.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.266 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 -32.88 4.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 99.989999999999995 110.928 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.508 ' OH ' ' CB ' ' A' ' 29' ' ' CYS . 2.3 t80 -105.22 -41.22 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 110.992 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.465 ' OE2' ' HA ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -101.74 99.89 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.264 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -119.25 147.69 43.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 99.989999999999995 110.245 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.625 ' HA ' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -116.68 129.21 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.313 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.918 ' HB ' HD21 ' A' ' 66' ' ' ASN . 4.8 m -65.19 -171.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.504 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.707 ' H ' HG22 ' A' ' 58' ' ' THR . 0.8 OUTLIER -161.81 151.62 16.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 108.303 179.987 31.343 177.362 97.347 79.39 2.151 91.28 -147.558 2.948 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.422 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -164.1 159.01 19.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 108.277 -179.952 -140.374 -161.038 51.531 100.752 1.429 144.783 -142.806 155.591 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.442 ' C ' ' OG1' ' A' ' 62' ' ' THR . 8.9 t -117.25 44.45 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.047 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.442 ' OG1' ' C ' ' A' ' 61' ' ' SER . 2.2 m -156.82 156.29 32.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.457 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.706 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 45.0 t0 -70.36 147.99 48.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.368 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.667 ' HG2' ' CG ' ' A' ' 63' ' ' ASP . 7.9 mmtp 40.83 46.04 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.269 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.422 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -107.6 -1.71 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 108.236 -179.975 155.591 -142.806 51.531 144.783 1.429 100.752 -161.038 -140.374 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 1.686 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 2.2 m120 -133.86 61.11 50.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.283 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.486 ' HD3' ' N ' ' A' ' 66' ' ' ASN . 18.1 Cg_endo -75.04 -177.99 3.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.436 1.756 . . . . 99.989999999999995 111.033 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.842 ' CE1' ' O ' ' B' ' 3' ' ' TYR . 80.2 t60 -85.75 149.75 51.81 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.607 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.852 ' HD3' HG21 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -74.99 6.12 3.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.487 1.783 . . . . 99.989999999999995 111.0 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.63 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -151.17 12.3 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.262 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.618 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.8 OUTLIER -19.4 131.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.255 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.527 ' N ' HD13 ' B' ' 8' ' ' LEU . 1.2 ttm105 168.26 141.43 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -74.94 168.34 25.05 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.453 1.765 . . . . 99.989999999999995 111.024 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.911 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 111.0 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.496 0.189 . . . . 99.989999999999995 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.665 ' HA ' ' CG2' ' A' ' 6' ' ' THR . 0.0 OUTLIER -101.91 -174.89 2.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.326 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 1.208 ' CZ ' HG23 ' A' ' 11' ' ' ILE . 12.6 m-85 -94.37 17.57 12.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 111.022 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.893 ' O ' ' O ' ' B' ' 3' ' ' TYR . 58.3 m-85 4.66 128.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 111.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 38' ' ' LYS . 1.7 tm-20 -40.58 -18.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.619 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 2.9 p -62.32 -49.08 77.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.006 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.499 ' O ' ' O ' ' B' ' 3' ' ' TYR . 58.9 m -158.47 -119.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.033 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.837 HD23 HG12 ' A' ' 11' ' ' ILE . 1.3 mp -155.4 22.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 109.301 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.541 ' HB2' ' C ' ' B' ' 13' ' ' ASP . 11.4 mt-10 -87.49 145.13 36.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 110.235 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.559 ' HG3' ' C ' ' A' ' 9' ' ' SER . 18.7 Cg_endo -74.88 50.61 2.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 99.989999999999995 111.039 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.433 ' CD1' ' O ' ' B' ' 10' ' ' PRO . 5.7 m95 174.93 66.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 99.989999999999995 108.06 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.869 ' HA ' ' CG ' ' B' ' 4' ' ' TYR . 1.6 p30 43.84 65.39 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.285 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . 0.541 ' C ' ' HB2' ' B' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 109.372 -179.976 . . . . . . . . 2 2 . 1 stop_ save_