data_1or5_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 1or5 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.4 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.71 -61.15 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.458 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.1 tt -106.92 140.0 40.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -127.97 170.76 12.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.4 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -63.5 -12.38 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.29 -54.77 5.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.89 -27.82 65.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.476 ' CD1' HD13 ' A' ' 12' ' ' LEU . 3.4 tm? -78.59 -45.12 22.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 7.1 ttpt -52.36 -54.83 26.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -52.93 -35.46 58.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -30.55 63.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 8' ' ' LEU . 12.5 mt -67.51 -48.31 67.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' GLY . . . -63.59 -64.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -36.25 -44.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 45' ' ' THR . 1.0 OUTLIER -78.94 -62.0 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.39 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.549 ' CB ' ' CZ ' ' A' ' 37' ' ' TYR . . . -58.69 -74.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . 121.4 58.36 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 32.9 mt-10 -122.49 72.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 110.249 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -102.29 61.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.48 -46.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.16 55.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 10.4 p -96.1 55.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.25 91.51 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 22' ' ' VAL . 11.1 mp -68.76 -41.19 79.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.4 -26.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' LEU . . . -112.6 38.14 3.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER 171.79 85.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.267 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' CD2' HG23 ' A' ' 5' ' ' VAL . 3.7 mt -116.85 -57.75 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.08 -35.32 34.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 34' ' ' ASP . 4.8 m -64.55 129.6 94.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' ASP . 18.2 Cg_endo -75.02 141.78 26.99 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -43.51 -49.57 7.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -49.29 -34.16 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.472 ' HB3' ' CG2' ' A' ' 30' ' ' THR . 0.6 OUTLIER -70.28 -53.19 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 31' ' ' PRO . 2.3 mp -59.9 -89.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' TYR . . . -160.38 -46.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.549 ' CZ ' ' CB ' ' A' ' 16' ' ' ALA . 3.2 m-85 -35.62 140.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.11 155.3 22.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 p -46.84 -41.48 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 tp -49.79 -62.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.81 -46.46 3.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' ALA . 3.3 mm? -57.47 -54.94 41.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -49.4 -34.01 15.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -66.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.44 ' N ' HG23 ' A' ' 15' ' ' THR . 14.5 t -59.84 -20.96 60.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' LEU . . . -59.68 -53.81 53.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.434 ' HA ' ' HG2' ' A' ' 50' ' ' GLN . . . -60.82 -52.06 66.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -54.53 -30.96 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' CD2' HG23 ' A' ' 75' ' ' VAL . 24.9 tp -67.59 -54.15 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.515 ' CB ' ' O ' ' A' ' 55' ' ' ILE . 5.6 pt20 -72.03 -17.21 62.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.1 mt-30 -66.83 -20.76 65.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -90.48 -57.15 2.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -93.81 -78.02 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.54 59.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 50' ' ' GLN . 19.1 mt -108.18 172.44 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.423 ' H ' ' CG2' ' A' ' 55' ' ' ILE . . . -127.89 58.39 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.49 ' CD2' ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -90.12 65.1 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.2 p -99.36 -175.12 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.427 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' GLY . 1.1 t0 -40.9 -37.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -38.87 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 5.3 t -81.26 -37.35 28.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.49 ' CG2' ' CD2' ' A' ' 57' ' ' LEU . 54.5 t -56.59 -16.98 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' ASP . . . -76.26 -46.58 12.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 61' ' ' THR . 2.9 ptp180 -70.03 -32.85 71.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.447 ' CD1' ' HG3' ' A' ' 70' ' ' GLU . 3.8 mm? -100.35 165.8 11.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.25 25.2 0.22 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 50.4 p -124.75 158.89 60.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -75.01 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 21.6 ptt180 -50.87 -34.85 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.447 ' HG3' ' CD1' ' A' ' 65' ' ' LEU . 29.9 mm-40 -73.37 -20.33 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -79.83 -33.13 40.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.91 -43.64 13.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 77' ' ' THR . 10.0 t70 -57.79 -44.79 86.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' HG2' ' CD1' ' A' ' 57' ' ' LEU . 12.2 tp10 -51.2 -54.5 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.495 HG21 ' CD1' ' A' ' 55' ' ' ILE . 62.9 t -68.41 -31.46 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' LEU . 16.8 m-80 -92.85 27.35 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 2.0 m -132.2 -61.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.6 m -43.39 102.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 179.12 6.42 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.53 62.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 m -143.79 -60.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.4 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.71 -61.15 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.458 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.1 tt -106.92 140.0 40.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -127.97 170.76 12.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.4 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.559 HG21 ' CD2' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -63.5 -12.38 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.29 -54.77 5.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.89 -27.82 65.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 8' ' ' LEU . 3.4 tm? -78.59 -45.12 22.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 7.1 ttpt -52.36 -54.83 26.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -52.93 -35.46 58.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -30.55 63.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.601 HD22 ' CE2' ' A' ' 37' ' ' TYR . 12.5 mt -67.51 -48.31 67.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' GLY . . . -63.59 -64.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -36.25 -44.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.71 HG21 ' HB ' ' A' ' 45' ' ' THR . 1.0 OUTLIER -78.94 -62.0 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.39 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.549 ' CB ' ' CZ ' ' A' ' 37' ' ' TYR . . . -58.69 -74.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . 121.4 58.36 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 32.9 mt-10 -122.49 72.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 110.249 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -102.29 61.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.48 -46.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.16 55.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 10.4 p -96.1 55.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.25 91.51 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 9' ' ' LYS . 11.1 mp -68.76 -41.19 79.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.4 -26.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' LEU . . . -112.6 38.14 3.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.619 ' HB3' HD21 ' A' ' 35' ' ' LEU . 0.9 OUTLIER 171.79 85.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.267 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.559 ' CD2' HG21 ' A' ' 5' ' ' VAL . 3.7 mt -116.85 -57.75 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.08 -35.32 34.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 34' ' ' ASP . 4.8 m -64.55 129.6 94.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.519 ' HB2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 141.78 26.99 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -43.51 -49.57 7.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.519 HG12 ' HB2' ' A' ' 31' ' ' PRO . 7.2 p -49.29 -34.16 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.472 ' HB3' ' CG2' ' A' ' 30' ' ' THR . 0.6 OUTLIER -70.28 -53.19 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 27' ' ' GLU . 2.3 mp -59.9 -89.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' TYR . . . -160.38 -46.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.601 ' CE2' HD22 ' A' ' 12' ' ' LEU . 3.2 m-85 -35.62 140.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.11 155.3 22.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 p -46.84 -41.48 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 tp -49.79 -62.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.81 -46.46 3.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' ALA . 3.3 mm? -57.47 -54.94 41.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.694 HD11 ' H ' ' A' ' 59' ' ' ASP . 4.1 mm? -49.4 -34.01 15.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' HB3' HG23 ' A' ' 15' ' ' THR . 0.0 OUTLIER -65.88 -66.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.71 ' HB ' HG21 ' A' ' 15' ' ' THR . 14.5 t -59.84 -20.96 60.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' LEU . . . -59.68 -53.81 53.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' GLN . . . -60.82 -52.06 66.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -54.53 -30.96 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.934 HD21 HG21 ' A' ' 75' ' ' VAL . 24.9 tp -67.59 -54.15 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.515 ' CB ' ' O ' ' A' ' 55' ' ' ILE . 5.6 pt20 -72.03 -17.21 62.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.1 mt-30 -66.83 -20.76 65.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -90.48 -57.15 2.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -93.81 -78.02 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.54 59.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.683 HD11 HG13 ' A' ' 75' ' ' VAL . 19.1 mt -108.18 172.44 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.575 ' N ' HG22 ' A' ' 55' ' ' ILE . . . -127.89 58.39 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.858 HD23 ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -90.12 65.1 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.2 p -99.36 -175.12 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.427 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.694 ' H ' HD11 ' A' ' 43' ' ' LEU . 1.1 t0 -40.9 -37.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -38.87 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 5.3 t -81.26 -37.35 28.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.858 ' CG2' HD23 ' A' ' 57' ' ' LEU . 54.5 t -56.59 -16.98 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' ASP . . . -76.26 -46.58 12.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 61' ' ' THR . 2.9 ptp180 -70.03 -32.85 71.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.655 HD12 ' HG3' ' A' ' 70' ' ' GLU . 3.8 mm? -100.35 165.8 11.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' O ' ' HA ' ' A' ' 31' ' ' PRO . . . -162.25 25.2 0.22 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 50.4 p -124.75 158.89 60.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -75.01 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 21.6 ptt180 -50.87 -34.85 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.655 ' HG3' HD12 ' A' ' 65' ' ' LEU . 29.9 mm-40 -73.37 -20.33 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.461 HD11 HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -79.83 -33.13 40.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.8 OUTLIER -84.91 -43.64 13.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 77' ' ' THR . 10.0 t70 -57.79 -44.79 86.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' HG2' ' CD1' ' A' ' 57' ' ' LEU . 12.2 tp10 -51.2 -54.5 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.934 HG21 HD21 ' A' ' 49' ' ' LEU . 62.9 t -68.41 -31.46 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' LEU . 16.8 m-80 -92.85 27.35 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 2.0 m -132.2 -61.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.6 m -43.39 102.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 179.12 6.42 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.53 62.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 m -143.79 -60.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.4 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.71 -61.15 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.458 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.1 tt -106.92 140.0 40.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -127.97 170.76 12.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.4 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.559 HG21 ' CD2' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -63.5 -12.38 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.29 -54.77 5.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.89 -27.82 65.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 8' ' ' LEU . 3.4 tm? -78.59 -45.12 22.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 7.1 ttpt -52.36 -54.83 26.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -52.93 -35.46 58.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -30.55 63.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.601 HD22 ' CE2' ' A' ' 37' ' ' TYR . 12.5 mt -67.51 -48.31 67.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' GLY . . . -63.59 -64.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -36.25 -44.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.71 HG21 ' HB ' ' A' ' 45' ' ' THR . 1.0 OUTLIER -78.94 -62.0 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.39 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.549 ' CB ' ' CZ ' ' A' ' 37' ' ' TYR . . . -58.69 -74.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . 121.4 58.36 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 32.9 mt-10 -122.49 72.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 110.249 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -102.29 61.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.48 -46.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.16 55.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 10.4 p -96.1 55.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.25 91.51 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 9' ' ' LYS . 11.1 mp -68.76 -41.19 79.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.4 -26.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' LEU . . . -112.6 38.14 3.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.619 ' HB3' HD21 ' A' ' 35' ' ' LEU . 0.9 OUTLIER 171.79 85.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.267 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.559 ' CD2' HG21 ' A' ' 5' ' ' VAL . 3.7 mt -116.85 -57.75 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.08 -35.32 34.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 34' ' ' ASP . 4.8 m -64.55 129.6 94.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.519 ' HB2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 141.78 26.99 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -43.51 -49.57 7.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.519 HG12 ' HB2' ' A' ' 31' ' ' PRO . 7.2 p -49.29 -34.16 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.472 ' HB3' ' CG2' ' A' ' 30' ' ' THR . 0.6 OUTLIER -70.28 -53.19 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 27' ' ' GLU . 2.3 mp -59.9 -89.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' TYR . . . -160.38 -46.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.601 ' CE2' HD22 ' A' ' 12' ' ' LEU . 3.2 m-85 -35.62 140.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.11 155.3 22.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 p -46.84 -41.48 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 tp -49.79 -62.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.81 -46.46 3.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' ALA . 3.3 mm? -57.47 -54.94 41.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.694 HD11 ' H ' ' A' ' 59' ' ' ASP . 4.1 mm? -49.4 -34.01 15.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' HB3' HG23 ' A' ' 15' ' ' THR . 0.0 OUTLIER -65.88 -66.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.71 ' HB ' HG21 ' A' ' 15' ' ' THR . 14.5 t -59.84 -20.96 60.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' LEU . . . -59.68 -53.81 53.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' GLN . . . -60.82 -52.06 66.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -54.53 -30.96 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.934 HD21 HG21 ' A' ' 75' ' ' VAL . 24.9 tp -67.59 -54.15 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.515 ' CB ' ' O ' ' A' ' 55' ' ' ILE . 5.6 pt20 -72.03 -17.21 62.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.1 mt-30 -66.83 -20.76 65.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -90.48 -57.15 2.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -93.81 -78.02 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.54 59.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.683 HD11 HG13 ' A' ' 75' ' ' VAL . 19.1 mt -108.18 172.44 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.575 ' N ' HG22 ' A' ' 55' ' ' ILE . . . -127.89 58.39 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.858 HD23 ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -90.12 65.1 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.2 p -99.36 -175.12 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.427 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.694 ' H ' HD11 ' A' ' 43' ' ' LEU . 1.1 t0 -40.9 -37.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -38.87 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 5.3 t -81.26 -37.35 28.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.858 ' CG2' HD23 ' A' ' 57' ' ' LEU . 54.5 t -56.59 -16.98 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' ASP . . . -76.26 -46.58 12.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 61' ' ' THR . 2.9 ptp180 -70.03 -32.85 71.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.655 HD12 ' HG3' ' A' ' 70' ' ' GLU . 3.8 mm? -100.35 165.8 11.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' O ' ' HA ' ' A' ' 31' ' ' PRO . . . -162.25 25.2 0.22 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 50.4 p -124.75 158.89 60.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -75.01 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 21.6 ptt180 -50.87 -34.85 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.655 ' HG3' HD12 ' A' ' 65' ' ' LEU . 29.9 mm-40 -73.37 -20.33 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.461 HD11 HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -79.83 -33.13 40.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.8 OUTLIER -84.91 -43.64 13.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 77' ' ' THR . 10.0 t70 -57.79 -44.79 86.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' HG2' ' CD1' ' A' ' 57' ' ' LEU . 12.2 tp10 -51.2 -54.5 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.934 HG21 HD21 ' A' ' 49' ' ' LEU . 62.9 t -68.41 -31.46 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 3' ' ' LEU . 16.8 m-80 -92.85 27.35 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 2.0 m -132.2 -61.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.6 m -43.39 102.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 179.12 6.42 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.53 62.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 m -143.79 -60.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.99 . . . . . . . . 0 0 . 1 stop_ save_