data_1ygm_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 1ygm _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 core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m -98.4 -7.46 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -105.22 -77.51 0.58 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 7' ' ' GLU . 43.3 t80 -120.18 -64.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 6' ' ' PHE . 10.6 mm-40 -43.65 168.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -120.86 -75.58 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 12' ' ' LYS . 1.2 p-80 -98.42 -23.02 15.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.542 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.592 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 34.6 m-70 -56.53 -26.67 55.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.553 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -117.26 12.39 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 9' ' ' HIS . 20.4 tptt -95.24 -46.17 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.658 ' CE3' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -53.28 -37.76 62.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 108.019 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -75.04 -25.63 58.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.86 -34.3 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 20' ' ' SER . 2.8 tm? -77.47 -30.07 53.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.402 ' CD1' HG22 ' A' ' 71' ' ' THR . 0.8 OUTLIER -89.84 -16.29 30.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.538 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 3.0 tm-20 -97.4 -16.97 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 35.2 mttt -103.61 -36.18 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 38.1 t -64.0 -63.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.433 HG23 ' NE2' ' A' ' 84' ' ' GLN . 3.7 p -121.96 40.11 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 18' ' ' GLU . . . -128.55 -1.9 5.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 12.2 m -125.09 -43.97 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 24' ' ' MET . 4.0 ttp 77.86 30.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.71 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' N ' HG22 ' A' ' 23' ' ' VAL . . . -57.26 -16.52 8.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -166.27 22.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.518 ' CE ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -120.99 -9.28 9.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 4.5 p -120.99 54.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.367 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.663 ' O ' ' CB ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -107.25 -0.85 22.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 30' ' ' THR . 3.8 t 144.94 -14.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER 81.84 -69.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.244 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 7.1 mt-10 -69.84 -34.47 73.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -91.77 -22.1 20.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.619 ' O ' ' CG2' ' A' ' 39' ' ' THR . 6.7 tm-20 -78.29 -15.66 58.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 2.2 tp-100 -107.11 -36.96 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 11.7 tp -79.58 -57.67 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 1.8 m -55.11 -30.98 60.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.619 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 44.0 p -88.03 -21.87 24.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -82.76 -12.37 57.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -121.78 -31.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 38' ' ' SER . 2.6 m-20 -39.02 -71.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.633 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.09 -30.88 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.585 ' O ' ' CG ' ' A' ' 48' ' ' LEU . 1.5 mmt -59.04 -24.05 62.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.605 1.191 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 10.3 t30 -58.87 -87.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.552 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.1 tp10 -82.12 -23.52 35.62 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 1.092 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.633 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -65.96 -41.62 95.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.621 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -76.82 -50.63 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 0.735 . . . . 0.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.508 ' O ' HG21 ' A' ' 52' ' ' ILE . 2.4 t0 -58.31 -33.85 69.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -80.28 -70.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.658 ' CD1' ' CE3' ' A' ' 13' ' ' TRP . 2.2 t80 -44.13 -39.53 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.621 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -64.79 -44.59 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -69.84 -9.25 54.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.68 -27.21 10.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.408 1.067 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.652 ' CE2' ' CB ' ' A' ' 61' ' ' ASP . 5.9 m-85 -120.93 -64.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 63.07 30.4 16.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.584 ' O ' ' CB ' ' A' ' 58' ' ' SER . 18.6 tp10 -129.64 -9.7 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 110.292 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.612 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.7 t 92.38 18.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.612 ' CB ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 95.77 55.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.583 ' C ' ' CD1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -85.07 -54.3 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.652 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . 1.4 t70 -35.82 -43.0 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.36 118.28 48.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 95.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.5 -70.08 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -140.25 -37.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.74 ' O ' ' HB3' ' A' ' 67' ' ' LEU . 3.6 tt0 176.56 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.74 ' HB3' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER 161.77 -44.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.696 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 0.4 OUTLIER -62.58 -64.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.589 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 99.3 m-20 -70.12 -29.48 66.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -48.97 -37.6 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -122.43 -53.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.696 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -46.24 -42.11 13.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.248 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.589 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.7 tt0 -58.79 -27.07 64.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -78.71 -55.21 5.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.51 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -70.63 -14.97 62.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 20.5 tttt -83.58 -52.12 6.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -58.95 -36.09 74.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.556 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -76.79 -52.66 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.672 ' HA ' ' C ' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -68.91 -3.53 13.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 10.0 t70 -113.88 -19.67 11.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 77' ' ' GLN . 1.3 tpp -98.55 -47.16 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.487 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 0.2 OUTLIER -129.74 -45.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.672 ' C ' ' HA ' ' A' ' 79' ' ' ARG . . . 157.0 -22.91 0.46 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.58 ' CB ' ' O ' ' A' ' 83' ' ' GLY . 26.4 tp60 154.52 -30.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.777 . . . . 0.0 110.272 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.529 ' N ' ' CD1' ' A' ' 91' ' ' LEU . 6.4 tm-20 -170.44 23.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.248 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 73.54 18.16 3.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 90' ' ' LYS . 12.0 tp -125.12 10.89 8.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.603 1.189 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.54 ' HB3' ' HA3' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -30.43 -44.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -39.45 -45.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -114.41 -15.53 12.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 94' ' ' ILE . 2.2 mt -64.5 -45.47 87.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 96' ' ' LYS . 1.7 t30 -36.63 -34.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.22 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 91' ' ' LEU . 21.4 m -89.71 -37.97 14.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 91' ' ' LEU . 2.0 mm -66.05 -41.32 89.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -77.21 -41.23 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.626 ' O ' ' CB ' ' A' ' 100' ' ' SER . 14.1 tttt -64.05 -26.94 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.473 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 9.9 mm100 -84.17 -43.58 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.521 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 1.4 mp -81.86 0.86 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.534 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 2.2 tp -118.77 -23.35 7.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.626 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 23.3 t -99.02 -12.53 20.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.616 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.4 OUTLIER -65.8 -6.82 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.616 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 3.4 m 95.16 39.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.564 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -111.86 -31.94 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.25 -52.62 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 106' ' ' GLU . 2.3 tt0 171.23 31.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.519 ' C ' ' O ' ' A' ' 105' ' ' GLU . 3.3 tp10 29.26 40.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 105' ' ' GLU . . . -102.45 53.51 0.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER 63.84 35.15 11.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 0.722 . . . . 0.0 110.263 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 1.7 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.561 ' CB ' ' HB3' ' A' ' 11' ' ' ARG . 35.5 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.5 m -68.62 -40.42 80.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' A' ' 6' ' ' PHE . 2.6 t80 -89.93 -90.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 1.065 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.518 ' N ' ' CG ' ' A' ' 5' ' ' PHE . 28.9 t80 -119.13 -67.75 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 1.2 mm-40 47.28 -174.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.097 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -111.8 -35.8 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER 158.61 -23.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.546 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 54' ' ' LEU . 4.9 m-70 -44.09 -34.31 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.385 1.053 . . . . 0.0 109.579 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.561 ' HB3' ' CB ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -88.26 -26.38 22.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.355 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -46.78 -40.58 13.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.238 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.55 ' CZ2' HD13 ' A' ' 52' ' ' ILE . 8.9 t90 -49.25 -36.21 19.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.006 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.492 ' OD1' ' CD2' ' A' ' 67' ' ' LEU . 16.3 m-20 -76.86 -26.55 54.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -63.45 -34.32 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.484 ' HG ' ' CB ' ' A' ' 43' ' ' ARG . 2.6 tm? -85.76 -34.72 21.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' CD2' ' HB ' ' A' ' 71' ' ' THR . 1.1 tp -77.26 -7.36 55.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.28 -21.23 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -96.83 -10.59 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.417 ' OG ' HD21 ' A' ' 16' ' ' LEU . 17.0 m -121.34 -41.75 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.63 ' O ' ' CG2' ' A' ' 21' ' ' THR . 1.1 m -123.88 44.92 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.85 23.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -124.92 -52.04 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 3.5 ttp 82.32 31.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 24' ' ' MET . 1.5 mt-10 163.8 -42.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.481 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -53.66 -24.75 15.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.448 1.092 . . . . 0.0 109.233 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.473 ' CE ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER 171.09 33.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.602 1.189 . . . . 0.0 110.952 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 84' ' ' GLN . 21.6 ttmt -118.59 -11.77 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 5.5 p -145.75 61.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.7 m -79.29 -60.13 2.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 110.338 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -156.94 22.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 3.8 mt-10 68.04 -63.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 3.3 tt0 -67.67 -35.76 79.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 38' ' ' SER . 1.1 mptt -90.36 -28.58 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.5 OUTLIER -72.04 -15.15 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 73.0 mt-30 -107.24 -39.36 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 15.6 tp -87.43 -61.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -53.46 -26.33 19.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.023 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.479 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -91.11 -26.04 19.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 0.0 110.428 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -85.24 -7.86 58.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.524 ' O ' ' C ' ' A' ' 42' ' ' ASP . 1.1 pt -123.67 -32.58 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -30.15 -73.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.615 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -116.88 -19.33 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.726 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 8.6 mmt -60.98 -18.72 59.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.451 ' O ' HD22 ' A' ' 48' ' ' LEU . 1.6 t-20 -63.03 -86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.35 -12.41 59.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.657 ' O ' ' CG ' ' A' ' 51' ' ' PHE . . . -76.79 -47.69 9.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.726 ' HB3' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -69.25 -35.64 76.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.581 ' N ' ' CD2' ' A' ' 48' ' ' LEU . 40.1 t0 -69.37 -40.73 77.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.75 -65.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.657 ' CG ' ' O ' ' A' ' 47' ' ' GLY . 21.5 m-30 -39.85 -53.46 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.55 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 2.0 mm -63.67 -41.37 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 30.5 tt0 -63.92 -12.2 35.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -111.77 -29.47 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.714 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 2.4 m-85 -93.18 -72.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.714 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 10.4 t30 134.12 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER 157.75 43.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.514 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 13.3 p 74.62 62.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -177.97 60.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.657 HG22 ' CD2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -63.47 -48.66 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.363 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.6 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 2.4 t0 -118.85 -69.44 0.85 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 152.35 62.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.583 ' HD3' ' H ' ' A' ' 62' ' ' GLU . 18.2 Cg_endo -74.99 -64.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.443 1.759 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.618 ' O ' ' CB ' ' A' ' 65' ' ' ILE . 2.4 tp 90.12 39.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.618 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER 154.99 -23.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.511 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -81.27 -28.93 34.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 60.2 mt -156.68 -41.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.8 t0 -61.18 -53.44 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -95.69 -15.4 22.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 2.5 t0 -73.4 -23.27 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.484 ' HB ' ' CD2' ' A' ' 17' ' ' LEU . 30.1 p -114.21 -39.91 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.359 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -77.38 -49.19 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -73.96 -24.51 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.33 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.586 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -77.53 -56.59 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -62.04 -29.51 70.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 77.1 mttt -73.16 -67.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 81' ' ' MET . 11.3 mm100 -58.87 -14.89 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.586 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -78.91 -67.53 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 79' ' ' ARG . 8.5 ttp-105 -73.84 3.52 6.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 6.8 t70 -106.93 -34.65 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.441 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 24.7 mmm -107.37 -64.1 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 81' ' ' MET . 0.2 OUTLIER 167.41 40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.951 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.487 ' O ' ' CE ' ' A' ' 28' ' ' LYS . . . -97.88 -34.8 5.32 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.566 ' N ' ' HB2' ' A' ' 78' ' ' ALA . 4.4 mt-30 -80.28 -48.88 12.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.779 . . . . 0.0 110.368 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.527 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 4.6 tp10 170.55 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.543 ' CD ' ' O ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 88.08 28.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -118.42 39.76 3.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER -40.43 -28.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' LEU . 4.4 mt-10 -49.64 -38.44 32.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.473 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 17.8 mttp -117.44 -26.23 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -72.43 -21.76 61.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 96' ' ' LYS . 27.6 t30 -70.71 -29.42 65.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.512 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 10.0 p -85.57 -36.93 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.34 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 91' ' ' LEU . 1.1 pp -71.45 -40.71 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.2 tp -75.06 -46.39 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.609 ' O ' ' CB ' ' A' ' 100' ' ' SER . 4.6 tttt -65.78 -24.9 67.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 93' ' ' THR . 33.4 tt0 -79.02 -40.49 31.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.415 1.072 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.567 ' O ' ' CG2' ' A' ' 103' ' ' VAL . 1.6 mp -79.29 -9.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.486 ' HG ' ' CB ' ' A' ' 104' ' ' SER . 8.3 mp -110.88 -17.93 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 23.2 t -105.81 -7.63 18.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.633 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.3 OUTLIER -63.17 -5.07 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.7 t 96.6 26.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' A' ' 98' ' ' ILE . 13.7 m -116.37 -27.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.486 ' CB ' ' HG ' ' A' ' 99' ' ' LEU . 4.8 t -117.33 -35.83 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -60.76 -25.63 66.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -76.54 -13.16 60.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.62 55.12 2.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 66.71 37.23 4.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.777 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.444 ' CB ' HG13 ' A' ' 15' ' ' ILE . 24.9 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 p -81.05 -97.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -115.48 -39.69 3.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -48.4 -67.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -154.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.59 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.8 OUTLIER -114.83 -43.46 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.59 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 155.11 -19.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.661 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.483 ' CD2' ' N ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER 66.48 45.95 2.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.625 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 4.2 tpt180 74.33 27.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.593 1.183 . . . . 0.0 110.251 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 16.9 mttt 68.39 32.57 4.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.374 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.691 ' CZ3' ' CD1' ' A' ' 52' ' ' ILE . 5.4 t90 -74.09 -59.08 2.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 108.024 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' ND1' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -69.79 -33.09 71.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.542 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 9.1 mt -67.02 -35.01 73.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.514 ' HG ' ' CE ' ' A' ' 44' ' ' MET . 3.1 tm? -86.27 -28.28 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 71' ' ' THR . 0.4 OUTLIER -83.38 -8.36 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -114.8 -21.99 9.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 15' ' ' ILE . 9.4 mmmt -92.17 -46.54 7.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.489 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 54.4 m -90.06 -63.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.415 ' OG1' ' HA ' ' A' ' 17' ' ' LEU . 2.5 p -83.66 34.45 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.9 16.66 1.39 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.522 ' O ' ' CB ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -113.1 -39.3 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.63 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER 82.35 41.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.63 ' CB ' ' O ' ' A' ' 24' ' ' MET . 16.0 tt0 97.47 -7.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' SD ' ' A' ' 27' ' ' MET . . . -75.66 -18.11 59.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.509 ' CB ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -160.84 19.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.576 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 1.1 ttpm? -116.18 -16.46 10.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.514 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 2.9 p -91.1 52.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 m -56.17 -54.36 46.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 0.0 110.445 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -177.9 33.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' CA ' ' HB3' ' A' ' 35' ' ' GLU . 1.3 mp0 62.88 -74.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -57.46 -36.38 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -93.84 -24.59 17.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.576 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 1.8 tt0 -60.7 -24.69 65.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 7.0 pt20 -114.37 -33.96 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 57.2 tp -70.87 -71.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 3.2 m -60.49 -17.97 48.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 3.1 m -90.38 -14.71 32.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -123.08 3.25 9.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.632 ' O ' ' C ' ' A' ' 42' ' ' ASP . 1.6 mp -122.22 -44.37 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.632 ' C ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t0 -20.03 -71.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.569 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 19.7 mtt85 -135.34 -5.75 2.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.608 1.192 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.514 ' CE ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.76 -18.94 58.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.418 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 8.1 t30 -50.32 -90.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -87.91 -15.68 35.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -72.02 -40.61 56.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.566 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -80.75 -55.21 4.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 47.9 t0 -48.28 -37.43 16.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -76.99 -74.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.374 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.57 ' O ' ' N ' ' A' ' 55' ' ' TYR . 8.3 m-85 -45.7 -55.6 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.691 ' CD1' ' CZ3' ' A' ' 13' ' ' TRP . 35.8 mm -52.93 -43.56 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 18.2 tt0 -63.84 -11.44 27.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.93 -13.02 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.376 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -98.98 -73.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.62 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.6 OUTLIER 164.16 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.218 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.62 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 1.6 pt-20 96.13 -6.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.274 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.603 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 28.3 m -125.26 -15.14 6.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.603 ' CB ' ' O ' ' A' ' 58' ' ' SER . 1.3 tp10 94.35 77.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.407 1.067 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.635 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 4.7 mm -136.33 15.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.3 -36.28 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.675 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -91.5 -57.63 0.24 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.3 Cg_endo -74.97 -75.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.596 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 1.2 tp 96.32 -6.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.542 ' CG1' ' O ' ' A' ' 65' ' ' ILE . 0.8 OUTLIER 165.87 42.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -172.4 54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.586 ' CB ' ' O ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER 155.81 -12.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 33.7 t0 -61.81 -51.19 69.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -87.26 -20.66 26.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -17.58 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.47 HG22 ' CD2' ' A' ' 17' ' ' LEU . 14.2 m -115.91 -41.75 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -65.65 -39.1 91.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 28.3 tt0 -67.82 -20.12 65.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 9.3 mt -78.63 -55.67 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.477 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 2.5 ptm -74.37 -21.23 59.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 72' ' ' ALA . 3.3 ttmt -85.66 -63.85 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 18.9 tt0 -54.76 -27.34 40.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.616 ' HA ' ' CE1' ' A' ' 82' ' ' TYR . . . -83.71 -56.21 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 75' ' ' MET . 11.2 ttp180 -71.09 2.33 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 61.3 t0 -115.27 -37.97 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.556 ' HG3' ' CD2' ' A' ' 82' ' ' TYR . 4.7 tpt -68.84 -59.28 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.593 1.183 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.616 ' CE1' ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -123.17 -24.39 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.06 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 91' ' ' LEU . . . 111.23 39.87 1.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.555 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER 83.45 7.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 110.28 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.676 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 168.71 -49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.676 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 8.9 tttt 148.95 28.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.9 mt -130.94 26.39 4.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.373 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 1.6 p-10 -39.39 -29.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -52.81 -37.65 60.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' LEU . 65.5 mttt -116.68 -28.98 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 83' ' ' GLY . 2.2 mp -70.64 -49.05 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 41.5 t-20 -52.72 -29.21 25.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -85.87 -29.68 23.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 95' ' ' ILE . 2.3 tp -71.41 -37.63 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.599 ' N ' HG22 ' A' ' 94' ' ' ILE . 9.5 mm -83.37 -38.3 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 100' ' ' SER . 75.8 tttt -71.2 -23.54 62.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 93' ' ' THR . 14.7 tt0 -85.07 -42.85 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.442 ' CG2' HD13 ' A' ' 99' ' ' LEU . 2.4 tp -68.8 -19.97 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 104' ' ' SER . 4.2 mp -100.46 -27.26 13.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 31.3 t -84.93 -13.76 49.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 110.045 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.613 ' O ' ' CB ' ' A' ' 102' ' ' SER . 4.3 tp -62.76 -11.35 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.1 m 149.02 38.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.624 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 1.4 t -146.83 8.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.57 ' O ' ' C ' ' A' ' 105' ' ' GLU . 16.2 m -116.16 -47.82 2.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.605 ' O ' ' N ' ' A' ' 107' ' ' GLY . 6.4 tp10 -24.08 -52.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 105' ' ' GLU . 1.2 tm-20 29.33 36.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 105' ' ' GLU . . . 65.45 -54.44 0.13 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 6.4 mt-10 -94.84 -19.47 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' ' CD1' ' A' ' 15' ' ' ILE . 48.4 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -54.57 -66.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.94 -72.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -118.69 -64.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 50.02 -172.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.24 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -116.21 -75.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.62 ' CD2' ' CG ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -40.72 -28.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.64 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -48.02 -22.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 6.5 tpt180 -39.89 -28.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 8.6 mttt 159.16 -20.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 1.023 ' CZ3' ' CE1' ' A' ' 51' ' ' PHE . 1.1 t90 -69.13 -47.67 64.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 108.001 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.62 ' CG ' ' CD2' ' A' ' 9' ' ' HIS . 6.0 t0 -69.65 -30.42 68.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.485 ' CD1' ' SG ' ' A' ' 3' ' ' CYS . 11.9 mm -72.86 -40.44 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.607 ' HG ' ' CB ' ' A' ' 43' ' ' ARG . 1.3 tm? -75.24 -33.29 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.391 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -80.45 -18.32 49.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 5.2 mm-40 -96.69 -13.77 22.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.242 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -104.55 -68.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.482 ' N ' ' SD ' ' A' ' 27' ' ' MET . 38.7 m -51.85 -89.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 84' ' ' GLN . 1.6 p -69.48 0.74 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.444 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' HA3' ' C ' ' A' ' 18' ' ' GLU . . . -77.84 -15.67 80.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.617 1.198 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.534 ' CG2' ' HB1' ' A' ' 26' ' ' ALA . 3.4 m -127.85 -50.31 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 0.798 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.511 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 3.4 ttp 81.85 22.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 177.66 -40.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HB1' ' CG2' ' A' ' 23' ' ' VAL . . . -54.1 -20.43 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 20' ' ' SER . 6.2 ptm -162.24 10.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' NZ ' ' OE1' ' A' ' 35' ' ' GLU . 2.2 tptp -92.76 -11.44 33.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 p -101.89 33.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -80.65 54.27 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.3 OUTLIER 79.93 -5.66 1.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER 74.35 -54.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.549 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 15.5 mt-10 -57.71 -41.2 81.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.66 -21.24 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.564 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -66.6 -17.32 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.579 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 3.4 pt20 -120.92 -32.08 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.54 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 81.1 mt -74.6 -66.95 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.563 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.7 m -66.26 -14.44 61.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.564 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -95.04 -14.75 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -121.66 6.44 9.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -131.18 -44.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' A' ' 38' ' ' SER . 4.7 t0 -78.01 2.61 17.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.63 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 5.5 mpt_? -132.64 -41.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.557 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -64.86 -27.75 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' A' ' 44' ' ' MET . 1.0 OUTLIER -43.74 -87.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 3.0 mt-10 -93.35 -15.42 25.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.63 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -72.14 -38.04 59.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HA ' ' HB3' ' A' ' 51' ' ' PHE . 3.3 mp -87.02 -50.6 6.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.401 ' O ' HD13 ' A' ' 52' ' ' ILE . 50.0 m-20 -53.37 -50.48 65.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -70.42 -38.47 74.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 1.023 ' CE1' ' CZ3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -44.49 -47.41 10.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 111.063 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.729 HG13 ' CD2' ' A' ' 51' ' ' PHE . 0.5 OUTLIER -70.2 -45.56 75.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -2.09 18.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' ALA . 4.3 mm? -122.87 -14.83 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.686 ' CZ ' ' HA ' ' A' ' 58' ' ' SER . 0.6 OUTLIER -124.76 -72.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 8.9 m-20 147.35 -50.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.9 pt-20 164.19 39.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.686 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . 6.7 p 52.61 69.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.674 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 1.0 OUTLIER -168.91 47.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.748 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER 151.36 25.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.682 ' N ' ' CE1' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -31.8 -37.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.6 OUTLIER -177.71 -55.85 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.4 Cg_endo -75.03 -89.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.423 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 0.3 OUTLIER 169.45 -42.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.3 tt -139.09 13.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.474 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -110.22 -9.19 14.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.516 ' HB3' ' CB ' ' A' ' 61' ' ' ASP . 2.7 mm? -139.98 -38.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.448 ' CG ' ' HA ' ' A' ' 59' ' ' GLU . 4.4 t0 -61.32 -57.27 13.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.48 -12.84 55.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.375 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -76.58 -29.13 56.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 67' ' ' LEU . 2.3 m -98.86 -36.66 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.09 79.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 47.4 mt-10 -73.91 -21.23 60.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 110.285 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -51.22 14.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.37 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.493 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -72.22 -26.34 62.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -83.13 -59.62 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.562 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 7.0 tm0? -49.9 -42.08 47.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.79 -48.64 36.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -62.33 -7.87 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 64.0 t0 -112.72 -26.85 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.557 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 8.6 ptm -70.94 -27.6 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 174.67 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.453 ' HA2' ' HA ' ' A' ' 79' ' ' ARG . . . 122.76 74.7 0.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.435 1.085 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.578 ' O ' ' CB ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER 54.51 14.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.1 tt0 154.2 -52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER 154.56 41.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 91' ' ' LEU . 15.6 tp -127.26 10.34 6.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.567 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -37.45 -32.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' LEU . 2.2 tt0 -46.79 -40.92 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.08 -18.15 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.547 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -80.84 -27.99 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 54.3 t30 -64.37 -37.16 86.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -82.08 -37.83 25.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.476 ' CG2' HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -68.77 -39.88 80.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.547 ' CG2' ' O ' ' A' ' 91' ' ' LEU . 2.3 pp -71.49 -42.41 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 100' ' ' SER . 56.2 tttm -63.79 -29.08 70.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.567 ' O ' ' CG2' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -83.21 -44.01 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.552 ' O ' ' CG2' ' A' ' 103' ' ' VAL . 1.0 OUTLIER -70.35 -12.81 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 95' ' ' ILE . 12.8 mt -109.23 -17.18 13.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 44.5 t -101.54 -9.32 21.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.617 ' O ' ' CB ' ' A' ' 102' ' ' SER . 7.7 pt -63.04 -8.36 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.3 t 95.42 33.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.552 ' CG2' ' O ' ' A' ' 98' ' ' ILE . 28.1 m -116.37 -35.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.1 t -114.61 -32.01 6.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 109' ' ' LYS . 32.1 mt-10 -79.38 -2.71 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.177 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -13.39 30.18 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 108' ' ' GLU . . . -83.54 49.46 4.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.578 1.173 . . . . 0.0 110.952 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 4.1 tt0 81.19 44.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 105' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' CG2' ' A' ' 15' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -70.45 -53.86 14.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -49.64 -65.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' PHE . 2.0 t80 -36.27 -61.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 177.77 -72.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' C ' ' CG ' ' A' ' 9' ' ' HIS . 39.6 mttm -120.57 -93.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.471 ' CB ' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER 178.77 35.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 0.0 109.607 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m80 47.65 49.06 16.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.578 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' CB ' ' CZ ' ' A' ' 51' ' ' PHE . 6.3 mmt180 68.64 20.31 8.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.487 ' CA ' HG13 ' A' ' 15' ' ' ILE . 25.6 mttt 69.25 41.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.682 ' CH2' ' HA ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -87.27 -53.43 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.097 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 17.3 t70 -69.98 -25.58 63.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.697 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -81.42 -42.16 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 1.9 tm? -62.66 -30.54 71.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HA ' ' OG1' ' A' ' 21' ' ' THR . 4.9 tp -96.51 -20.71 18.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.572 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 9.7 tt0 -122.27 35.52 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.697 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -162.03 -35.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.423 ' CB ' ' HB3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.1 -34.38 11.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 17' ' ' LEU . 14.5 p -122.58 62.49 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.48 32.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.159 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.587 ' CG2' ' HA ' ' A' ' 19' ' ' LYS . 37.9 t -124.1 -85.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.737 . . . . 0.0 109.338 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.61 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 4.0 ptm -128.38 -11.77 5.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.61 ' CB ' ' O ' ' A' ' 24' ' ' MET . 1.4 mt-10 95.12 2.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.354 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.486 ' HB1' ' CE ' ' A' ' 24' ' ' MET . . . -60.76 -18.4 54.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.423 ' HB3' ' CB ' ' A' ' 20' ' ' SER . 1.7 mpp? -123.0 -11.19 8.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.539 ' CG ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -98.71 -15.8 19.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 25' ' ' GLU . 1.5 p -119.35 27.98 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.6 m -59.01 85.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER 49.17 20.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.528 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 12.5 mt-10 64.82 -66.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 110.323 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.1 mt-10 -47.3 -42.76 21.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -93.18 -19.26 21.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.528 ' OE1' ' HA ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -60.14 -24.85 65.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 2.8 pp0? -119.64 -34.01 3.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -69.21 -62.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 18.0 m -71.29 -16.85 62.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 2.1 m -91.82 -13.08 32.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -120.1 2.64 10.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.615 ' O ' ' C ' ' A' ' 42' ' ' ASP . 60.1 mt -122.26 -40.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -22.44 -72.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.593 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 11.1 mmt180 -128.29 -6.94 5.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.661 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 10.7 mtt -68.27 -17.65 64.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 1.6 t-20 -58.24 -91.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -80.87 -17.09 51.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.649 ' O ' ' CG ' ' A' ' 51' ' ' PHE . . . -74.68 -43.63 28.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.672 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -64.69 -41.0 96.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.346 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.51 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -63.68 -41.65 98.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.353 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -81.87 -71.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.671 ' HB3' ' CE3' ' A' ' 13' ' ' TRP . 22.1 m-85 -34.45 -43.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.672 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -64.59 -49.47 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 50' ' ' ALA . 4.1 tt0 -68.85 -6.63 28.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.6 -33.65 8.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.629 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 77.9 m-85 -121.79 -64.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.629 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 7.7 t30 145.24 -13.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.682 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 3.1 tp10 75.48 23.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.21 -32.02 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.554 ' C ' ' CD1' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -112.08 -50.05 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.262 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.595 HG13 ' CE3' ' A' ' 13' ' ' TRP . 1.8 mp 73.0 2.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 10.4 t70 -97.21 -62.07 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.582 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER 153.58 -59.48 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.57 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 0.2 OUTLIER 93.04 35.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.7 mm -113.66 -12.74 11.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.507 ' O ' ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -154.45 56.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER 173.65 -20.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.198 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.597 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 30.1 t0 -60.42 -56.32 22.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 1.1 t70 -83.97 -20.78 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.445 ' CB ' ' HA ' ' A' ' 67' ' ' LEU . 1.2 t0 -68.55 -26.24 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 m -112.36 -48.32 3.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.597 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -55.01 -44.64 74.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -66.4 -16.19 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.469 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -78.4 -55.41 5.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.523 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -77.26 -22.11 52.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 5.4 mmtp -82.7 -59.96 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.577 ' O ' ' CG ' ' A' ' 81' ' ' MET . 31.7 tt0 -54.67 -39.92 68.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 74' ' ' LEU . . . -69.67 -58.99 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -67.56 -0.79 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 12.1 t0 -104.22 -40.72 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.577 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -58.27 -53.45 58.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -150.51 -5.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 111.008 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 84' ' ' GLN . . . 111.81 37.51 1.55 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.582 ' CB ' ' O ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER 92.83 -34.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 110.287 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -174.22 26.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.592 ' CG ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 79.21 36.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.479 ' CD2' HD22 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -122.77 6.03 9.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.571 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER -41.74 -28.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -49.29 -39.05 29.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -123.11 -20.65 5.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.16 -28.85 48.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 55.4 t30 -68.89 -37.72 79.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 3.0 m -78.71 -35.55 44.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.516 ' CD1' ' OE1' ' A' ' 36' ' ' GLN . 25.8 mm -75.01 -36.78 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 91' ' ' LEU . 15.2 tt -74.9 -48.31 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.599 ' O ' ' CB ' ' A' ' 100' ' ' SER . 2.6 tttt -66.16 -26.13 67.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 93' ' ' THR . 15.1 tt0 -78.44 -42.81 28.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.408 ' HB ' ' O ' ' A' ' 94' ' ' ILE . 1.1 tp -73.62 -10.89 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.549 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -111.95 -12.72 13.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 70.7 m -110.96 -7.42 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.698 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.4 tp -61.21 -29.12 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 4.3 m 138.95 41.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.059 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.549 ' CG2' ' HA ' ' A' ' 99' ' ' LEU . 6.7 m -124.26 -46.36 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 99' ' ' LEU . 1.4 t -80.67 21.27 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 103' ' ' VAL . 0.3 OUTLIER 73.89 35.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 108' ' ' GLU . 1.4 tt0 -40.62 -34.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.28 -21.44 1.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 2.4 mt-10 -114.13 -72.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.623 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.508 ' HB3' ' CB ' ' A' ' 12' ' ' LYS . 3.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.6 m -82.89 -78.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -92.51 -0.01 57.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.436 ' C ' ' CG ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -79.48 -43.95 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.436 ' CG ' ' C ' ' A' ' 6' ' ' PHE . 2.2 pt-20 41.0 80.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -122.2 -70.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 49.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.611 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.584 ' CE1' ' HA2' ' A' ' 47' ' ' GLY . 28.7 m80 56.24 67.77 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.546 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER 66.84 15.38 10.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.581 ' O ' ' N ' ' A' ' 15' ' ' ILE . 2.5 tttt 69.21 94.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.973 ' CE3' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -47.44 -35.11 8.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 10.3 t70 -61.55 -26.32 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -76.65 -37.0 28.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' HG ' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -76.36 -32.55 58.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.462 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 55.1 tp -84.04 -19.81 33.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 5.1 tm-20 -95.39 -18.7 20.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -91.89 -34.15 14.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.52 ' HA ' ' CB ' ' A' ' 27' ' ' MET . 47.2 t -93.74 -71.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.064 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.592 ' CG2' ' CB ' ' A' ' 78' ' ' ALA . 63.2 m -84.28 24.2 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.96 -5.11 4.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 26' ' ' ALA . 3.7 t -122.25 -41.13 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.455 ' N ' ' HE1' ' A' ' 24' ' ' MET . 0.0 OUTLIER 72.26 30.63 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 14.3 tt0 -178.11 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -64.85 -24.65 67.61 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.52 ' CB ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -156.03 15.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.571 ' HE3' ' CG ' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -110.39 -16.66 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.388 1.055 . . . . 0.0 109.275 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.531 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 55.2 t -99.11 46.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.49 ' CG2' ' HA ' ' A' ' 35' ' ' GLU . 4.0 t -132.39 71.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.797 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.3 m 55.93 102.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.613 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -25.27 -73.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.546 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 5.4 mt-10 -45.9 -35.16 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.752 ' N ' ' O ' ' A' ' 31' ' ' SER . 6.5 mttt -89.06 -24.69 22.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.364 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.797 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -58.67 -17.56 23.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 2.5 tp-100 -121.56 -35.69 3.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.546 ' CD1' ' O ' ' A' ' 33' ' ' GLU . 11.0 mp -69.34 -64.54 0.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -23.28 67.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -80.93 -19.03 45.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.518 ' HB3' ' CG1' ' A' ' 98' ' ' ILE . . . -121.96 5.73 9.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.599 ' O ' ' C ' ' A' ' 42' ' ' ASP . 60.5 mt -109.27 -43.81 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.599 ' C ' ' O ' ' A' ' 41' ' ' ILE . 8.7 t70 -24.01 -64.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -137.43 -7.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.646 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -77.81 -18.29 56.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.475 ' OD1' ' CG2' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -46.2 -77.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -88.51 -22.83 23.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 10' ' ' HIS . . . -72.45 -44.79 40.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.646 ' CB ' ' O ' ' A' ' 44' ' ' MET . 1.3 tt -68.86 -51.21 42.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 0.805 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' OD2' HG23 ' A' ' 101' ' ' ILE . 65.4 m-20 -55.51 -34.84 64.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.58 -72.56 0.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.973 ' CE1' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -46.55 -51.39 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.675 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 2.0 tt -54.26 -42.22 55.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' CD ' ' CG1' ' A' ' 103' ' ' VAL . 1.7 tt0 -78.86 -2.5 40.09 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.11 -15.96 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.616 ' CE1' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -121.27 -71.19 0.74 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.614 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 1.4 m120 150.85 -18.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.614 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.0 OUTLIER 95.18 10.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 57.8 m -174.14 33.6 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.616 ' O ' ' CE1' ' A' ' 55' ' ' TYR . 4.9 tt0 -136.35 39.29 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.258 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.687 ' CG1' ' CZ3' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -70.04 -46.43 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.736 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 28.8 t0 -61.6 -48.49 80.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.391 1.057 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.736 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 12.0 tt0 110.68 -52.01 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.683 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.4 Cg_endo -74.95 -42.98 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.53 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER 76.58 41.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.474 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 2.6 mt -130.61 2.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -172.03 63.52 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 110.384 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 66' ' ' GLN . 3.5 mt 161.46 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.568 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.5 t70 -64.91 -45.59 85.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.3 m-20 -84.8 -17.69 37.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.5 -34.41 70.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.6 m -101.23 -33.85 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -68.88 -30.89 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.362 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 22.8 tt0 -63.41 -24.01 67.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 52.1 mt -86.09 -57.06 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -61.67 -29.09 69.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 50.0 mtpt -82.33 -62.05 1.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.553 ' O ' ' HB3' ' A' ' 81' ' ' MET . 37.5 tt0 -53.55 -29.54 37.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.592 ' CB ' ' CG2' ' A' ' 21' ' ' THR . . . -80.01 -57.63 3.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.597 ' HA ' ' CA ' ' A' ' 83' ' ' GLY . 1.3 ttp180 -72.76 5.87 2.89 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 21.6 t0 -116.72 -45.14 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.553 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.14 -32.2 71.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.6 ' CG ' ' HA ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 176.29 30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.597 ' CA ' ' HA ' ' A' ' 79' ' ' ARG . . . 86.54 -29.96 4.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.571 ' CG ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 164.27 -14.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -172.63 -40.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.615 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER 154.84 39.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 91' ' ' LEU . 15.2 mt -128.31 -2.82 5.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 87' ' ' LEU . 14.9 p-10 -32.98 -39.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 87' ' ' LEU . 12.6 pt-20 -42.18 -46.89 4.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -121.39 -12.82 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.564 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.5 OUTLIER -79.09 -19.64 50.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.509 ' O ' HG21 ' A' ' 95' ' ' ILE . 20.9 m-20 -59.82 -43.05 94.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.496 ' O ' ' CG ' ' A' ' 97' ' ' GLN . 5.9 p -88.82 -29.42 19.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.49 ' CG2' HD13 ' A' ' 37' ' ' LEU . 1.2 mp -74.42 -29.27 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 10.2 tt -77.58 -45.26 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -72.42 -20.42 61.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.621 ' O ' ' CA ' ' A' ' 101' ' ' ILE . 77.4 mt-30 -89.74 -43.03 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.518 ' CG1' ' HB3' ' A' ' 40' ' ' ALA . 3.7 tp -81.45 -8.77 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.634 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 4.4 tt -97.05 -41.83 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.497 ' OG ' ' CB ' ' A' ' 104' ' ' SER . 0.4 OUTLIER -126.93 -32.45 2.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.621 ' CA ' ' O ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER 61.99 20.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.57 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 1.4 t 91.45 18.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.405 ' CG1' ' CD ' ' A' ' 53' ' ' GLN . 82.4 t -98.19 -11.88 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.618 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 0.3 OUTLIER -67.42 -6.39 19.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.952 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.618 ' CB ' ' O ' ' A' ' 104' ' ' SER . 25.5 tt0 96.36 17.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 72.23 -50.62 0.7 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 43.74 25.7 0.63 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 58.26 42.59 21.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.555 0.797 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.43 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 16.6 t . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -35.37 80.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.456 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -119.62 -87.4 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -122.08 -64.68 1.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 3' ' ' CYS . 20.1 mp0 52.95 176.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.06 -56.68 1.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.603 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 6.1 m-70 -102.54 -38.22 7.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -47.61 -32.9 6.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.536 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' HB3' ' N ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -99.98 31.18 3.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' HIS . 6.5 mmtt -124.91 -63.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.656 ' CZ2' ' HA ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -71.15 -69.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 107.924 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -47.03 -32.62 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.404 ' HB ' ' C ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -70.21 -37.55 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -74.39 -35.84 63.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.471 HD11 ' CG2' ' A' ' 21' ' ' THR . 10.1 tp -81.16 -14.55 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 2.6 mm-40 -103.53 -9.72 19.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 2.6 mtpt -109.64 -66.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.5 ' HA ' ' CB ' ' A' ' 27' ' ' MET . 47.8 m -55.75 -91.49 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.541 1.151 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.471 ' CG2' HD11 ' A' ' 17' ' ' LEU . 7.1 t -85.47 29.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 110.354 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 18' ' ' GLU . . . -119.49 -14.13 5.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.058 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 24' ' ' MET . 3.2 t -124.79 -41.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.184 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.527 ' HB3' ' O ' ' A' ' 23' ' ' VAL . 3.8 ttp 81.13 29.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.441 ' CG ' HG12 ' A' ' 29' ' ' VAL . 27.9 tt0 -179.57 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.487 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . . . -61.5 -25.44 67.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.5 ' CB ' ' HA ' ' A' ' 20' ' ' SER . 1.2 mmt -152.21 14.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 9.2 tptt -114.01 -12.43 12.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.509 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 1.7 p -107.95 46.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.659 ' O ' ' CB ' ' A' ' 31' ' ' SER . 18.1 m -112.42 -24.9 9.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.73 ' O ' ' N ' ' A' ' 34' ' ' LYS . 2.9 m 144.9 109.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 31' ' ' SER . 1.1 mt-10 -29.94 -64.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.526 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -47.25 -31.62 3.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.73 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -94.67 -27.09 16.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.681 ' N ' ' O ' ' A' ' 31' ' ' SER . 22.7 mt-10 -71.05 -5.65 33.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 13.7 pt20 -123.72 -41.93 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.548 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 1.4 mt -84.98 -56.17 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 3.8 m -69.84 -18.97 63.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 16.6 m -92.39 -22.58 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -107.95 1.2 22.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.592 ' O ' ' C ' ' A' ' 42' ' ' ASP . 4.1 mm -120.4 -44.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -24.72 -69.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.602 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -131.51 -15.86 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.496 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 15.0 mtt -70.54 -20.53 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.436 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 4.6 t30 -52.93 -86.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 2.1 tt0 -84.03 -20.65 32.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.602 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -69.87 -53.42 15.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.532 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 1.5 tp -62.05 -53.94 48.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.357 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 8.3 m-20 -49.25 -40.08 32.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -78.96 -75.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.603 ' CE2' ' HB3' ' A' ' 9' ' ' HIS . 0.1 OUTLIER -37.09 -53.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.556 HD11 ' CA ' ' A' ' 57' ' ' GLU . 2.3 mm -59.36 -44.85 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 21.3 tt0 -65.37 -10.43 33.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -29.04 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CZ ' ' O ' ' A' ' 60' ' ' ILE . 9.6 m-85 -121.91 -68.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.621 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER 151.76 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.656 ' HA ' ' CZ2' ' A' ' 13' ' ' TRP . 3.0 tm-20 98.0 37.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 36.1 m -158.17 -50.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.509 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 1.2 pm0 -68.71 -58.31 4.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.61 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER 76.3 -9.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 11.6 t70 -148.27 -50.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.558 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 1.5 tt0 157.4 -59.78 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.3 Cg_endo -75.01 -80.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -168.32 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.478 ' HB ' ' O ' ' A' ' 64' ' ' LEU . 20.6 mm 73.52 13.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 59.59 21.22 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.459 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.0 OUTLIER -140.87 2.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.552 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -67.59 -27.43 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 15.6 m-20 -84.31 -20.73 31.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -78.96 -31.66 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.356 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -95.21 -38.75 10.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -67.69 -36.52 80.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 3.4 tt0 -73.26 -26.27 61.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 17.5 mt -70.41 -59.07 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.515 ' HG3' ' N ' ' A' ' 76' ' ' LYS . 2.8 ptt? -66.61 -34.04 76.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' N ' ' HG3' ' A' ' 75' ' ' MET . 5.8 ttmm -71.48 -68.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 7.1 pt20 -51.94 -20.13 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -76.23 -80.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.417 1.073 . . . . 0.0 109.333 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.55 ' HA ' ' HA2' ' A' ' 83' ' ' GLY . 6.4 ptm180 -56.11 -6.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 78' ' ' ALA . 6.9 m-20 -88.66 -51.89 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -58.82 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.537 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -167.59 21.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.595 ' O ' ' HB3' ' A' ' 87' ' ' LEU . . . 85.1 41.18 7.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.473 ' HB3' ' O ' ' A' ' 83' ' ' GLY . 5.8 tp60 77.51 -17.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.757 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 83' ' ' GLY . 1.1 pm0 -179.26 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.474 ' O ' ' CD1' ' A' ' 91' ' ' LEU . 4.3 tttp -177.68 29.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.595 ' HB3' ' O ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -91.68 34.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 4.0 t30 -122.64 -43.53 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -34.39 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -115.46 -10.75 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.494 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 1.3 mp -80.49 -17.69 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 20.3 t30 -64.44 -36.31 83.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 29.7 m -86.63 -35.88 19.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.392 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.422 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 1.2 mp -70.8 -35.77 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 4.9 mm -81.9 -38.07 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 100' ' ' SER . 12.5 ttpt -74.35 -18.96 60.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 93' ' ' THR . 30.4 tt0 -88.68 -45.51 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.512 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 5.6 tp -66.24 -25.79 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' A' ' 104' ' ' SER . 10.0 mp -91.23 -37.1 13.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 43.9 t -77.27 -10.47 59.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.607 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.4 OUTLIER -66.98 -11.4 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.607 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 4.4 p 147.96 46.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.5 HG22 ' CG1' ' A' ' 52' ' ' ILE . 1.6 t -147.21 -45.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.24 -32.3 15.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 104' ' ' SER . 1.2 tt0 -37.2 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -156.91 72.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 108' ' ' GLU . . . -83.32 22.4 7.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.622 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 4.9 tt0 90.03 6.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.622 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 t -57.98 -35.53 71.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 0.0 110.42 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.5 -75.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 9.0 m-85 -115.15 -86.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER 167.78 70.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.77 -93.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.566 ' CE1' ' CD2' ' A' ' 54' ' ' LEU . 5.4 m170 -103.62 -17.31 15.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 109.61 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.603 ' CD2' ' N ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -74.73 -23.08 58.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.538 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 20.24 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.398 1.061 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' N ' ' HB ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -141.88 -70.05 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.719 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 1.5 t90 -58.86 -71.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 107.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 25.7 t0 -54.5 -21.84 11.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.55 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 1.2 mm -77.41 -25.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' CD1' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -81.68 -30.19 32.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.535 ' CD2' ' OE1' ' A' ' 59' ' ' GLU . 41.5 tp -95.37 -12.29 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.577 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 6.9 tt0 -106.22 -16.84 14.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 2.3 tttt -115.16 -20.78 10.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.614 ' CA ' ' HB3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -121.34 60.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.988 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.1 t -122.86 19.18 10.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.493 ' N ' ' CG ' ' A' ' 27' ' ' MET . . . 84.41 -9.52 64.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.9 t -76.95 -49.7 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -83.53 -10.64 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.491 ' CG ' ' HB ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER 79.31 -3.38 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.85 -12.03 59.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.614 ' HB3' ' CA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -127.24 -3.27 6.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.98 -1.81 8.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.509 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -123.23 24.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.503 ' HB ' ' CB ' ' A' ' 35' ' ' GLU . 9.0 m -110.17 27.63 9.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.419 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER 79.14 -0.39 2.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.6 mt-10 77.72 -52.36 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.48 -43.0 86.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.238 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -82.03 -16.94 48.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.581 ' CG ' ' O ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -71.16 -45.6 63.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.533 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 13.7 mm-40 -80.14 -36.79 34.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.522 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -59.28 -47.54 84.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.651 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 1.3 m -70.19 -46.58 64.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.521 ' OG1' ' CD1' ' A' ' 16' ' ' LEU . 1.3 t -68.16 -1.59 6.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.452 ' HB2' ' CG2' ' A' ' 94' ' ' ILE . . . -120.52 -12.16 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.604 ' O ' ' C ' ' A' ' 42' ' ' ASP . 3.3 mt -128.77 -52.62 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.651 ' CB ' ' O ' ' A' ' 38' ' ' SER . 28.1 t0 -23.13 -68.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.659 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 14.9 mmt-85 -127.52 -11.32 5.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.369 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.67 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.22 -19.76 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.514 ' CG ' ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -63.11 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' H ' ' CG ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -79.01 -16.92 56.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.659 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -75.78 -37.83 38.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.733 ' O ' ' CG2' ' A' ' 52' ' ' ILE . 5.1 tp -68.14 -52.43 34.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.529 ' O ' HG21 ' A' ' 52' ' ' ILE . 2.5 m-20 -59.26 -39.96 84.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -74.63 -72.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.719 ' HB3' ' CE3' ' A' ' 13' ' ' TRP . 22.8 m-30 -41.11 -51.33 3.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.733 ' CG2' ' O ' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -52.94 -43.87 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . 43.2 tt0 -89.32 8.47 30.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.566 ' CD2' ' CE1' ' A' ' 9' ' ' HIS . 2.6 mp -117.83 -17.59 9.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.647 ' CE1' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -111.25 -64.66 1.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.627 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 3.6 m-20 156.92 -5.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.394 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.627 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.2 mt-10 96.59 80.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.5 m 156.81 -22.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.66 ' CG ' ' CD2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER 86.05 -7.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.498 ' CD1' ' HB ' ' A' ' 71' ' ' THR . 0.6 OUTLIER -158.07 16.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.502 ' CB ' ' HB3' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -40.9 -35.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 137.17 1.48 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 83.21 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.46 -19.67 19.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.522 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 0.9 OUTLIER 72.42 21.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 169.38 55.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.459 HD23 ' CG2' ' A' ' 60' ' ' ILE . 1.4 tp -169.35 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.199 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 24.7 t0 -66.95 -48.32 68.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.0 p30 -83.64 -20.52 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.37 -33.51 74.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.498 ' HB ' ' CD1' ' A' ' 60' ' ' ILE . 1.2 m -102.21 -47.88 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -54.68 -41.04 69.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 10.1 tt0 -74.6 -17.18 60.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.487 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 1.4 tp -71.97 -53.51 12.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.517 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -78.29 -21.35 49.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.81 -59.29 2.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 6.8 pt20 -56.99 -38.11 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.566 ' CB ' ' HA ' ' A' ' 84' ' ' GLN . . . -72.42 -61.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 75' ' ' MET . 0.6 OUTLIER -51.98 -13.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 78' ' ' ALA . 11.3 t0 -103.93 -27.07 12.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.521 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 6.0 ptp -73.25 -17.42 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.588 1.18 . . . . 0.0 111.024 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.494 ' CG ' ' CG ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 173.49 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 85' ' ' GLU . . . 135.21 45.08 0.1 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.566 ' HA ' ' CB ' ' A' ' 78' ' ' ALA . 2.9 tt0 77.09 -20.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.303 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 83' ' ' GLY . 5.7 tm-20 177.12 29.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.494 ' CG ' ' CG ' ' A' ' 82' ' ' TYR . 0.6 OUTLIER 70.86 41.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 57.8 tp -122.62 6.04 9.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 23.9 p-10 -51.45 -34.5 35.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -38.64 -41.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -121.42 -25.98 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 94' ' ' ILE . 3.1 tp -67.38 -45.98 74.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.506 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 3.6 p30 -40.22 -33.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.219 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.471 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 53.4 m -84.02 -36.64 22.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.445 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.4 mm -71.64 -37.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.499 ' CG2' ' HA ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -71.81 -44.89 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.615 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -65.02 -25.74 67.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.338 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -78.08 -45.13 24.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.509 HG21 ' CD2' ' A' ' 48' ' ' LEU . 1.1 mp -75.25 -12.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.503 ' CD1' HG23 ' A' ' 98' ' ' ILE . 4.8 mp -105.03 -21.13 13.33 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.1 t -96.18 -10.08 28.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.3 OUTLIER -60.32 -10.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 1.3 t 86.48 45.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.478 ' HB ' ' CG1' ' A' ' 52' ' ' ILE . 8.9 m -136.25 -51.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 3.5 t -43.9 -49.64 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.937 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 104' ' ' SER . 0.5 OUTLIER 155.53 40.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 1.067 . . . . 0.0 110.328 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -50.66 34.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.4 49.34 3.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.494 ' OE2' ' CB ' ' A' ' 109' ' ' LYS . 1.5 pp20? -163.51 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 0.722 . . . . 0.0 110.36 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.494 ' CB ' ' OE2' ' A' ' 108' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.476 ' CB ' HD13 ' A' ' 15' ' ' ILE . 19.0 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 t -121.15 -0.1 10.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.96 -39.32 94.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -66.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.54 -81.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -100.45 -93.66 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.438 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -175.55 33.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 11' ' ' ARG . 5.4 m-70 42.72 45.75 4.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 109.524 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.583 ' CD ' ' CE1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER 78.21 37.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 2.9 ptpp? 50.47 32.97 7.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.362 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.616 ' CZ2' ' HB3' ' A' ' 51' ' ' PHE . 6.0 m0 -72.54 -46.28 55.24 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' ' HB ' ' A' ' 60' ' ' ILE . 29.2 t70 -78.1 -26.78 48.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.476 HD13 ' CB ' ' A' ' 3' ' ' CYS . 25.9 mm -75.81 -36.19 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 39' ' ' THR . 1.9 tm? -80.67 -36.23 32.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -74.15 -24.78 59.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -94.1 -22.28 18.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' SER . 11.9 mttt -76.78 -40.16 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.69 ' O ' ' CG2' ' A' ' 21' ' ' THR . 11.3 p -33.55 -59.86 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.69 ' CG2' ' O ' ' A' ' 20' ' ' SER . 1.2 t 86.43 -39.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.671 ' N ' HG23 ' A' ' 21' ' ' THR . . . 61.87 -2.05 1.07 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.569 1.168 . . . . 0.0 110.936 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.653 ' O ' ' CG ' ' A' ' 24' ' ' MET . 43.7 t -61.77 -24.71 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.653 ' CG ' ' O ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER 82.96 21.22 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.54 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.39 -16.32 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.44 ' N ' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER 171.78 34.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.509 ' NZ ' ' OE1' ' A' ' 35' ' ' GLU . 10.3 mmmt -131.73 -0.08 3.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.1 p -83.14 48.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.621 ' CG2' ' O ' ' A' ' 30' ' ' THR . 1.1 m -109.41 54.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER 72.05 10.54 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 3.7 mt-10 62.86 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.275 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.518 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -46.82 -37.51 8.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' CG ' ' OG ' ' A' ' 38' ' ' SER . 0.9 OUTLIER -88.66 -19.56 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -57.25 -28.4 62.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 1.4 mm-40 -117.09 -22.39 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' A' ' 41' ' ' ILE . 49.2 mt -85.41 -60.22 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.516 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . 65.3 m -64.14 -19.33 65.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.562 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 61.1 p -93.26 -26.14 17.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.599 ' HB1' ' CG1' ' A' ' 98' ' ' ILE . . . -107.72 3.1 24.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -119.1 -36.25 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.562 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -27.7 -64.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -130.36 -12.51 3.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.704 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 4.2 mtt -72.56 -23.01 60.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -40.86 -83.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.571 1.17 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -85.29 -19.39 31.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.9 -34.27 71.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.59 1.181 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.704 ' HB3' ' O ' ' A' ' 44' ' ' MET . 1.0 OUTLIER -82.41 -58.21 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' ' 52' ' ' ILE . 59.4 t0 -44.24 -36.83 2.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.81 -65.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.616 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 3.2 m-85 -50.05 -33.99 20.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.594 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.31 -49.24 83.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.183 . . . . 0.0 109.336 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 9.1 tt0 -75.01 -2.47 27.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 tp -107.08 -27.55 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.632 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 6.3 m-85 -123.94 -73.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.606 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER 175.4 -56.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.606 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 3.9 tm-20 152.19 -12.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.524 ' O ' ' CD1' ' A' ' 67' ' ' LEU . 6.6 m -128.94 44.81 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.632 ' OE2' ' CE2' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -102.51 26.12 8.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.547 HG21 ' CG2' ' A' ' 71' ' ' THR . 0.1 OUTLIER -65.3 -42.93 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' H ' ' CD1' ' A' ' 60' ' ' ILE . 12.1 t0 -116.02 -55.15 2.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 45.0 78.02 0.42 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 18.3 Cg_endo -74.96 0.29 9.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.777 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 3.4 tp 85.82 2.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.38 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -96.12 -22.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.426 1.079 . . . . 0.0 109.243 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.632 ' O ' ' CG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -175.34 -71.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.632 ' CG ' ' O ' ' A' ' 66' ' ' GLN . 0.3 OUTLIER 89.67 -34.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.651 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.4 t70 -69.94 -45.39 67.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -82.64 -10.01 59.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.47 -34.58 63.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.547 ' CG2' HG21 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -110.56 -20.91 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.371 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.651 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -80.14 -32.99 38.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 29.7 tt0 -60.58 -30.04 69.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.29 -60.63 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.499 ' CG ' ' HA ' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -50.89 -31.96 19.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 14.0 mtpt -80.75 -51.77 8.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 81' ' ' MET . 27.9 tp60 -54.55 -25.43 25.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 84' ' ' GLN . . . -87.47 -71.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.546 ' HA ' ' HA2' ' A' ' 83' ' ' GLY . 0.3 OUTLIER -48.12 -18.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 41.1 t0 -96.85 -38.59 9.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.546 ' CB ' ' O ' ' A' ' 77' ' ' GLN . 5.3 ttp -60.01 -19.26 51.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.499 ' CD2' ' CD ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 170.83 -21.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.956 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 79' ' ' ARG . . . 129.99 28.38 0.73 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.501 ' HB3' ' O ' ' A' ' 83' ' ' GLY . 26.5 tp60 74.75 -16.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 83' ' ' GLY . 0.2 OUTLIER 178.75 26.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.499 ' CD ' ' CD2' ' A' ' 82' ' ' TYR . 0.1 OUTLIER 63.45 34.37 12.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 91' ' ' LEU . 13.1 mt -122.84 1.76 9.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 87' ' ' LEU . 1.1 t30 -38.09 -38.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -43.01 -40.68 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.522 ' O ' ' CG1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -123.38 -2.83 8.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.526 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.5 OUTLIER -84.69 -26.88 27.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 95' ' ' ILE . 17.1 p-10 -56.25 -45.05 80.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 t -88.82 -37.71 15.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.626 ' O ' ' HB ' ' A' ' 98' ' ' ILE . 61.2 mt -64.26 -28.94 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.796 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -82.27 -47.45 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.222 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' A' ' 100' ' ' SER . 79.9 mttt -60.72 -19.0 57.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.503 ' O ' ' CA ' ' A' ' 101' ' ' ILE . 2.3 mp0 -103.38 -49.39 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.626 ' HB ' ' O ' ' A' ' 94' ' ' ILE . 1.6 tp -79.97 -0.27 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.796 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -121.61 -39.92 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -112.7 -30.92 6.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.503 ' CA ' ' O ' ' A' ' 97' ' ' GLN . 0.2 OUTLIER 60.55 16.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER 79.79 6.71 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 110.08 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.487 HG12 ' CG2' ' A' ' 52' ' ' ILE . 15.7 t -100.8 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.28 -22.31 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -40.69 -31.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.391 1.057 . . . . 0.0 110.36 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.545 ' HB3' ' CB ' ' A' ' 109' ' ' LYS . 17.5 mm-40 66.79 5.29 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.75 -58.29 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 106' ' ' GLU . 2.0 tp10 -156.75 19.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.545 ' CB ' ' HB3' ' A' ' 106' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.8 m -75.09 -78.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -78.28 -91.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 7' ' ' GLU . 43.3 p90 -121.52 -48.04 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.573 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.5 OUTLIER 49.89 -171.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.76 -77.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -131.4 27.19 4.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.563 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.585 ' CE1' ' HB ' ' A' ' 60' ' ' ILE . 15.9 m-70 -70.86 -31.29 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.588 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -85.06 48.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.485 ' N ' ' HB ' ' A' ' 15' ' ' ILE . 2.2 ptmm? 179.03 -65.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.917 ' CE2' ' CZ ' ' A' ' 51' ' ' PHE . 7.0 t90 -70.69 -55.84 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.536 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 26.8 t0 -74.47 -28.47 61.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.485 ' HB ' ' N ' ' A' ' 12' ' ' LYS . 1.6 tt -67.91 -34.85 69.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.07 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 20' ' ' SER . 1.9 tm? -80.54 -33.91 35.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.477 HD11 ' CB ' ' A' ' 21' ' ' THR . 6.9 tp -86.46 -3.4 59.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 6.3 tm-20 -116.4 -17.21 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' C ' ' CG2' ' A' ' 23' ' ' VAL . 2.1 mtpp -114.75 -9.44 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -122.26 -69.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.477 ' CB ' HD11 ' A' ' 17' ' ' LEU . 44.7 m -76.87 51.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.446 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.46 21.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.485 ' O ' ' HB3' ' A' ' 24' ' ' MET . 61.3 t -125.42 -43.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.531 ' CE ' ' O ' ' A' ' 24' ' ' MET . 1.1 ttp 71.69 5.58 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.2 mt-10 -113.49 -64.82 1.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.78 1.11 24.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.577 ' CE ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -119.42 -22.1 7.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.577 ' CB ' ' CE ' ' A' ' 27' ' ' MET . 1.3 tptt -121.98 -41.1 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' GLU . 84.0 t -92.44 63.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.636 ' O ' ' CB ' ' A' ' 31' ' ' SER . 1.4 p -128.65 -32.36 2.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 30' ' ' THR . 4.7 p 146.7 11.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 66.0 -71.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' SER . 12.6 pt-20 -48.86 -38.14 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.407 ' CG ' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -93.63 -21.56 19.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -66.7 -14.27 62.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -120.53 -37.4 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.91 -60.83 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.246 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.9 m -70.76 -14.88 62.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 1.9 m -93.12 -23.58 18.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.376 1.047 . . . . 0.0 110.387 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -109.88 1.76 19.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.61 ' O ' ' C ' ' A' ' 42' ' ' ASP . 25.0 mt -121.97 -41.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -21.83 -74.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.677 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.9 OUTLIER -131.47 -9.19 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.594 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 3.6 mtt -72.24 -21.28 61.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.429 ' ND2' ' HA ' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -57.94 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.664 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.5 mm-40 -85.69 -26.45 25.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.677 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -65.58 -43.4 94.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.657 ' HA ' ' CD2' ' A' ' 51' ' ' PHE . 1.1 tp -70.73 -45.19 65.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -72.49 -20.85 61.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.664 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -81.46 -77.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.917 ' CZ ' ' CE2' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -40.18 -42.73 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.795 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -68.15 -46.77 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.54 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 13.0 tt0 -73.42 -2.87 24.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -119.35 -15.78 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.578 ' N ' ' O ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -126.16 -68.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.62 43.04 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.597 ' CG ' ' HA ' ' A' ' 62' ' ' GLU . 1.3 tp10 -88.27 -24.16 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.233 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 2.3 m 91.08 -14.69 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.631 ' O ' ' CE2' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -151.18 -72.54 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 10' ' ' HIS . 0.2 OUTLIER 172.92 -65.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.77 -71.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.597 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 3.2 pt-20 173.26 159.21 0.28 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 42.91 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.426 1.751 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.521 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 45.9 tp -87.21 -17.75 31.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER 88.34 20.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 7.3 pt20 -107.2 -31.35 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.458 ' N ' ' HG3' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -127.38 -27.45 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.219 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.578 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -66.1 -34.2 77.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -87.79 -21.34 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -69.18 -40.24 78.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.44 HG23 ' CD2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -88.07 -38.69 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.19 -31.38 70.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -69.27 -24.0 63.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt -71.33 -57.28 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.462 ' HG3' ' N ' ' A' ' 76' ' ' LYS . 4.3 ptm -66.46 -37.69 85.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -68.95 -52.08 32.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.565 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 32.4 tt0 -54.44 -26.62 31.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -70.53 -77.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.651 ' HA ' ' CA ' ' A' ' 83' ' ' GLY . 0.3 OUTLIER -59.55 -7.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 3.8 t0 -80.05 -53.21 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 mmt -76.51 -29.78 56.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 178.14 -30.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.19 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.651 ' CA ' ' HA ' ' A' ' 79' ' ' ARG . . . 92.0 -4.18 77.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 8.7 pt20 -37.48 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.243 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 83' ' ' GLY . 0.4 OUTLIER -49.5 -80.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.298 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.585 ' C ' ' CB ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -147.83 -0.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.377 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.593 ' O ' ' HA3' ' A' ' 83' ' ' GLY . 0.3 OUTLIER -133.63 61.74 1.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.751 HD21 ' N ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -110.78 -113.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.751 ' N ' HD21 ' A' ' 88' ' ' ASN . 1.5 tt0 -74.33 -77.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.23 -20.78 33.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.585 ' CB ' ' C ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -74.59 -35.76 62.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 3.0 t30 -55.17 -38.26 68.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.429 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . 50.7 m -72.11 -41.93 66.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 36' ' ' GLN . 42.6 mm -66.3 -37.36 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 8.5 mm -82.1 -29.72 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 100' ' ' SER . 2.1 ttpp -62.04 -34.03 75.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.626 1.204 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.427 ' O ' ' HB ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -83.38 -45.76 13.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.441 ' CG2' ' HA ' ' A' ' 95' ' ' ILE . 3.5 tp -70.98 -14.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -102.83 -29.86 11.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.1 t -87.11 -10.36 53.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.627 ' O ' ' CB ' ' A' ' 102' ' ' SER . 6.1 tp -65.67 -6.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 3.4 m 97.18 51.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 110.023 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.602 ' CG1' ' CG2' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -125.15 -39.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.489 ' CB ' ' CD1' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -123.6 -37.73 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.053 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -16.51 63.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -125.98 13.98 7.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.72 -9.45 32.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -171.99 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.235 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m -98.4 -7.46 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -105.22 -77.51 0.58 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 7' ' ' GLU . 43.3 t80 -120.18 -64.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 6' ' ' PHE . 10.6 mm-40 -43.65 168.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -120.86 -75.58 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 12' ' ' LYS . 1.2 p-80 -98.42 -23.02 15.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.542 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.592 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 34.6 m-70 -56.53 -26.67 55.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.553 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -117.26 12.39 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 9' ' ' HIS . 20.4 tptt -95.24 -46.17 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.658 ' CE3' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -53.28 -37.76 62.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 108.019 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -75.04 -25.63 58.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.86 -34.3 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 20' ' ' SER . 2.8 tm? -77.47 -30.07 53.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.402 ' CD1' HG22 ' A' ' 71' ' ' THR . 0.8 OUTLIER -89.84 -16.29 30.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.538 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 3.0 tm-20 -97.4 -16.97 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 35.2 mttt -103.61 -36.18 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 38.1 t -64.0 -63.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.433 HG23 ' NE2' ' A' ' 84' ' ' GLN . 3.7 p -121.96 40.11 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 18' ' ' GLU . . . -128.55 -1.9 5.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 12.2 m -125.09 -43.97 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 24' ' ' MET . 4.0 ttp 77.86 30.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.71 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' N ' HG22 ' A' ' 23' ' ' VAL . . . -57.26 -16.52 8.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -166.27 22.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.518 ' CE ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -120.99 -9.28 9.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 4.5 p -120.99 54.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.367 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.663 ' O ' ' CB ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -107.25 -0.85 22.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 30' ' ' THR . 3.8 t 144.94 -14.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER 81.84 -69.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.244 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 7.1 mt-10 -69.84 -34.47 73.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -91.77 -22.1 20.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.619 ' O ' ' CG2' ' A' ' 39' ' ' THR . 6.7 tm-20 -78.29 -15.66 58.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 2.2 tp-100 -107.11 -36.96 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 11.7 tp -79.58 -57.67 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 1.8 m -55.11 -30.98 60.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.619 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 44.0 p -88.03 -21.87 24.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -82.76 -12.37 57.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -121.78 -31.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 38' ' ' SER . 2.6 m-20 -39.02 -71.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.633 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.09 -30.88 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.585 ' O ' ' CG ' ' A' ' 48' ' ' LEU . 1.5 mmt -59.04 -24.05 62.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.605 1.191 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 10.3 t30 -58.87 -87.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.552 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.1 tp10 -82.12 -23.52 35.62 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 1.092 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.633 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -65.96 -41.62 95.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.621 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -76.82 -50.63 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 0.735 . . . . 0.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.508 ' O ' HG21 ' A' ' 52' ' ' ILE . 2.4 t0 -58.31 -33.85 69.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -80.28 -70.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.658 ' CD1' ' CE3' ' A' ' 13' ' ' TRP . 2.2 t80 -44.13 -39.53 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.621 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -64.79 -44.59 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -69.84 -9.25 54.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.68 -27.21 10.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.408 1.067 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.652 ' CE2' ' CB ' ' A' ' 61' ' ' ASP . 5.9 m-85 -120.93 -64.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 63.07 30.4 16.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.584 ' O ' ' CB ' ' A' ' 58' ' ' SER . 18.6 tp10 -129.64 -9.7 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 110.292 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.612 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.7 t 92.38 18.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.612 ' CB ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 95.77 55.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.583 ' C ' ' CD1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -85.07 -54.3 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.652 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . 1.4 t70 -35.82 -43.0 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.36 118.28 48.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 95.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.5 -70.08 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -140.25 -37.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.74 ' O ' ' HB3' ' A' ' 67' ' ' LEU . 3.6 tt0 176.56 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.74 ' HB3' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER 161.77 -44.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.696 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 0.4 OUTLIER -62.58 -64.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.589 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 99.3 m-20 -70.12 -29.48 66.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -48.97 -37.6 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -122.43 -53.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.696 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -46.24 -42.11 13.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.248 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.589 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.7 tt0 -58.79 -27.07 64.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -78.71 -55.21 5.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.51 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -70.63 -14.97 62.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 20.5 tttt -83.58 -52.12 6.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -58.95 -36.09 74.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.556 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -76.79 -52.66 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.672 ' HA ' ' C ' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -68.91 -3.53 13.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 10.0 t70 -113.88 -19.67 11.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 77' ' ' GLN . 1.3 tpp -98.55 -47.16 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.487 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 0.2 OUTLIER -129.74 -45.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.672 ' C ' ' HA ' ' A' ' 79' ' ' ARG . . . 157.0 -22.91 0.46 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.58 ' CB ' ' O ' ' A' ' 83' ' ' GLY . 26.4 tp60 154.52 -30.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.777 . . . . 0.0 110.272 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.529 ' N ' ' CD1' ' A' ' 91' ' ' LEU . 6.4 tm-20 -170.44 23.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.248 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 73.54 18.16 3.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 90' ' ' LYS . 12.0 tp -125.12 10.89 8.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.603 1.189 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.54 ' HB3' ' HA3' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -30.43 -44.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -39.45 -45.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -114.41 -15.53 12.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 94' ' ' ILE . 2.2 mt -64.5 -45.47 87.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 96' ' ' LYS . 1.7 t30 -36.63 -34.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.22 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 91' ' ' LEU . 21.4 m -89.71 -37.97 14.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 91' ' ' LEU . 2.0 mm -66.05 -41.32 89.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -77.21 -41.23 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.626 ' O ' ' CB ' ' A' ' 100' ' ' SER . 14.1 tttt -64.05 -26.94 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.473 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 9.9 mm100 -84.17 -43.58 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.521 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 1.4 mp -81.86 0.86 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.534 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 2.2 tp -118.77 -23.35 7.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.626 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 23.3 t -99.02 -12.53 20.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.616 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.4 OUTLIER -65.8 -6.82 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.616 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 3.4 m 95.16 39.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.564 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -111.86 -31.94 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.25 -52.62 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 106' ' ' GLU . 2.3 tt0 171.23 31.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.519 ' C ' ' O ' ' A' ' 105' ' ' GLU . 3.3 tp10 29.26 40.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 105' ' ' GLU . . . -102.45 53.51 0.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER 63.84 35.15 11.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 0.722 . . . . 0.0 110.263 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 1.7 ttpt 90.57 -39.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 109' ' ' LYS . 1.1 mt-10 165.01 76.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.47 -86.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 110' ' ' GLU . 37.8 t -119.2 132.82 23.82 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -52.72 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.772 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.1 ttp-105 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.561 ' CB ' ' HB3' ' A' ' 11' ' ' ARG . 35.5 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.5 m -68.62 -40.42 80.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' A' ' 6' ' ' PHE . 2.6 t80 -89.93 -90.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 1.065 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.518 ' N ' ' CG ' ' A' ' 5' ' ' PHE . 28.9 t80 -119.13 -67.75 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 1.2 mm-40 47.28 -174.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.097 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -111.8 -35.8 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER 158.61 -23.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.546 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 54' ' ' LEU . 4.9 m-70 -44.09 -34.31 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.385 1.053 . . . . 0.0 109.579 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.561 ' HB3' ' CB ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -88.26 -26.38 22.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.355 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -46.78 -40.58 13.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.238 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.55 ' CZ2' HD13 ' A' ' 52' ' ' ILE . 8.9 t90 -49.25 -36.21 19.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.006 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.492 ' OD1' ' CD2' ' A' ' 67' ' ' LEU . 16.3 m-20 -76.86 -26.55 54.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -63.45 -34.32 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.484 ' HG ' ' CB ' ' A' ' 43' ' ' ARG . 2.6 tm? -85.76 -34.72 21.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' CD2' ' HB ' ' A' ' 71' ' ' THR . 1.1 tp -77.26 -7.36 55.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.28 -21.23 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -96.83 -10.59 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.417 ' OG ' HD21 ' A' ' 16' ' ' LEU . 17.0 m -121.34 -41.75 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.63 ' O ' ' CG2' ' A' ' 21' ' ' THR . 1.1 m -123.88 44.92 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.85 23.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -124.92 -52.04 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 3.5 ttp 82.32 31.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 24' ' ' MET . 1.5 mt-10 163.8 -42.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.481 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -53.66 -24.75 15.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.448 1.092 . . . . 0.0 109.233 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.473 ' CE ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER 171.09 33.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.602 1.189 . . . . 0.0 110.952 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 84' ' ' GLN . 21.6 ttmt -118.59 -11.77 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 5.5 p -145.75 61.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.7 m -79.29 -60.13 2.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 110.338 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -156.94 22.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 3.8 mt-10 68.04 -63.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 3.3 tt0 -67.67 -35.76 79.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 38' ' ' SER . 1.1 mptt -90.36 -28.58 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.5 OUTLIER -72.04 -15.15 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 73.0 mt-30 -107.24 -39.36 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 15.6 tp -87.43 -61.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -53.46 -26.33 19.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.023 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.479 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -91.11 -26.04 19.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 0.0 110.428 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -85.24 -7.86 58.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.524 ' O ' ' C ' ' A' ' 42' ' ' ASP . 1.1 pt -123.67 -32.58 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -30.15 -73.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.615 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -116.88 -19.33 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.726 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 8.6 mmt -60.98 -18.72 59.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.451 ' O ' HD22 ' A' ' 48' ' ' LEU . 1.6 t-20 -63.03 -86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.35 -12.41 59.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.657 ' O ' ' CG ' ' A' ' 51' ' ' PHE . . . -76.79 -47.69 9.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.726 ' HB3' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -69.25 -35.64 76.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.581 ' N ' ' CD2' ' A' ' 48' ' ' LEU . 40.1 t0 -69.37 -40.73 77.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.75 -65.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.657 ' CG ' ' O ' ' A' ' 47' ' ' GLY . 21.5 m-30 -39.85 -53.46 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.55 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 2.0 mm -63.67 -41.37 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 30.5 tt0 -63.92 -12.2 35.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -111.77 -29.47 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.714 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 2.4 m-85 -93.18 -72.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.714 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 10.4 t30 134.12 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER 157.75 43.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.514 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 13.3 p 74.62 62.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -177.97 60.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.657 HG22 ' CD2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -63.47 -48.66 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.363 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.6 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 2.4 t0 -118.85 -69.44 0.85 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 152.35 62.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.583 ' HD3' ' H ' ' A' ' 62' ' ' GLU . 18.2 Cg_endo -74.99 -64.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.443 1.759 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.618 ' O ' ' CB ' ' A' ' 65' ' ' ILE . 2.4 tp 90.12 39.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.618 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER 154.99 -23.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.511 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -81.27 -28.93 34.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 66' ' ' GLN . 60.2 mt -156.68 -41.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.8 t0 -61.18 -53.44 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -95.69 -15.4 22.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 2.5 t0 -73.4 -23.27 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.484 ' HB ' ' CD2' ' A' ' 17' ' ' LEU . 30.1 p -114.21 -39.91 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.359 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -77.38 -49.19 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -73.96 -24.51 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.33 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.586 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -77.53 -56.59 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -62.04 -29.51 70.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 77.1 mttt -73.16 -67.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 81' ' ' MET . 11.3 mm100 -58.87 -14.89 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.586 ' CB ' ' O ' ' A' ' 74' ' ' LEU . . . -78.91 -67.53 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 79' ' ' ARG . 8.5 ttp-105 -73.84 3.52 6.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 6.8 t70 -106.93 -34.65 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.441 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 24.7 mmm -107.37 -64.1 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 81' ' ' MET . 0.2 OUTLIER 167.41 40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.951 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.487 ' O ' ' CE ' ' A' ' 28' ' ' LYS . . . -97.88 -34.8 5.32 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.566 ' N ' ' HB2' ' A' ' 78' ' ' ALA . 4.4 mt-30 -80.28 -48.88 12.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.779 . . . . 0.0 110.368 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.527 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 4.6 tp10 170.55 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.543 ' CD ' ' O ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 88.08 28.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -118.42 39.76 3.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER -40.43 -28.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' LEU . 4.4 mt-10 -49.64 -38.44 32.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.473 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 17.8 mttp -117.44 -26.23 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -72.43 -21.76 61.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 96' ' ' LYS . 27.6 t30 -70.71 -29.42 65.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.512 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 10.0 p -85.57 -36.93 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.34 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 91' ' ' LEU . 1.1 pp -71.45 -40.71 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.2 tp -75.06 -46.39 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.609 ' O ' ' CB ' ' A' ' 100' ' ' SER . 4.6 tttt -65.78 -24.9 67.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 93' ' ' THR . 33.4 tt0 -79.02 -40.49 31.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.415 1.072 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.567 ' O ' ' CG2' ' A' ' 103' ' ' VAL . 1.6 mp -79.29 -9.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.486 ' HG ' ' CB ' ' A' ' 104' ' ' SER . 8.3 mp -110.88 -17.93 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 23.2 t -105.81 -7.63 18.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.633 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.3 OUTLIER -63.17 -5.07 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.7 t 96.6 26.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' A' ' 98' ' ' ILE . 13.7 m -116.37 -27.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.486 ' CB ' ' HG ' ' A' ' 99' ' ' LEU . 4.8 t -117.33 -35.83 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -60.76 -25.63 66.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -76.54 -13.16 60.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.62 55.12 2.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 66.71 37.23 4.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.777 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.6 70.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 63.66 -87.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.7 tp -158.85 -71.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.5 m -136.03 155.26 77.78 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.52 4.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.434 1.755 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.227 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' CB ' HG13 ' A' ' 15' ' ' ILE . 24.9 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 p -81.05 -97.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -115.48 -39.69 3.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -48.4 -67.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -154.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.59 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.8 OUTLIER -114.83 -43.46 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.59 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 155.11 -19.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.661 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.483 ' CD2' ' N ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER 66.48 45.95 2.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.625 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 4.2 tpt180 74.33 27.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.593 1.183 . . . . 0.0 110.251 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 16.9 mttt 68.39 32.57 4.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.374 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.691 ' CZ3' ' CD1' ' A' ' 52' ' ' ILE . 5.4 t90 -74.09 -59.08 2.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 108.024 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' ND1' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -69.79 -33.09 71.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.542 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 9.1 mt -67.02 -35.01 73.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.514 ' HG ' ' CE ' ' A' ' 44' ' ' MET . 3.1 tm? -86.27 -28.28 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 71' ' ' THR . 0.4 OUTLIER -83.38 -8.36 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -114.8 -21.99 9.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 15' ' ' ILE . 9.4 mmmt -92.17 -46.54 7.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.489 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 54.4 m -90.06 -63.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.415 ' OG1' ' HA ' ' A' ' 17' ' ' LEU . 2.5 p -83.66 34.45 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.9 16.66 1.39 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.522 ' O ' ' CB ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -113.1 -39.3 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.63 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER 82.35 41.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.63 ' CB ' ' O ' ' A' ' 24' ' ' MET . 16.0 tt0 97.47 -7.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' SD ' ' A' ' 27' ' ' MET . . . -75.66 -18.11 59.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.509 ' CB ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -160.84 19.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.576 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 1.1 ttpm? -116.18 -16.46 10.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.514 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 2.9 p -91.1 52.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 m -56.17 -54.36 46.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 0.0 110.445 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -177.9 33.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' CA ' ' HB3' ' A' ' 35' ' ' GLU . 1.3 mp0 62.88 -74.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -57.46 -36.38 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -93.84 -24.59 17.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.576 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 1.8 tt0 -60.7 -24.69 65.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 7.0 pt20 -114.37 -33.96 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 57.2 tp -70.87 -71.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 3.2 m -60.49 -17.97 48.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 3.1 m -90.38 -14.71 32.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -123.08 3.25 9.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.632 ' O ' ' C ' ' A' ' 42' ' ' ASP . 1.6 mp -122.22 -44.37 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.632 ' C ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t0 -20.03 -71.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.569 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 19.7 mtt85 -135.34 -5.75 2.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.608 1.192 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.514 ' CE ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.76 -18.94 58.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.418 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 8.1 t30 -50.32 -90.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -87.91 -15.68 35.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -72.02 -40.61 56.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.566 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -80.75 -55.21 4.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 47.9 t0 -48.28 -37.43 16.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -76.99 -74.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.374 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.57 ' O ' ' N ' ' A' ' 55' ' ' TYR . 8.3 m-85 -45.7 -55.6 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.691 ' CD1' ' CZ3' ' A' ' 13' ' ' TRP . 35.8 mm -52.93 -43.56 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 18.2 tt0 -63.84 -11.44 27.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.93 -13.02 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.376 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -98.98 -73.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.62 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.6 OUTLIER 164.16 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.218 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.62 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 1.6 pt-20 96.13 -6.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.274 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.603 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 28.3 m -125.26 -15.14 6.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.603 ' CB ' ' O ' ' A' ' 58' ' ' SER . 1.3 tp10 94.35 77.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.407 1.067 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.635 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 4.7 mm -136.33 15.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.3 -36.28 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.675 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -91.5 -57.63 0.24 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.3 Cg_endo -74.97 -75.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.596 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 1.2 tp 96.32 -6.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.542 ' CG1' ' O ' ' A' ' 65' ' ' ILE . 0.8 OUTLIER 165.87 42.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -172.4 54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.586 ' CB ' ' O ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER 155.81 -12.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 33.7 t0 -61.81 -51.19 69.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -87.26 -20.66 26.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -17.58 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.47 HG22 ' CD2' ' A' ' 17' ' ' LEU . 14.2 m -115.91 -41.75 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -65.65 -39.1 91.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 28.3 tt0 -67.82 -20.12 65.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 9.3 mt -78.63 -55.67 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.477 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 2.5 ptm -74.37 -21.23 59.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 72' ' ' ALA . 3.3 ttmt -85.66 -63.85 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 18.9 tt0 -54.76 -27.34 40.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.616 ' HA ' ' CE1' ' A' ' 82' ' ' TYR . . . -83.71 -56.21 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 75' ' ' MET . 11.2 ttp180 -71.09 2.33 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 61.3 t0 -115.27 -37.97 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.556 ' HG3' ' CD2' ' A' ' 82' ' ' TYR . 4.7 tpt -68.84 -59.28 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.593 1.183 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.616 ' CE1' ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -123.17 -24.39 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.06 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 91' ' ' LEU . . . 111.23 39.87 1.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.555 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER 83.45 7.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 110.28 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.676 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 168.71 -49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.676 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 8.9 tttt 148.95 28.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.9 mt -130.94 26.39 4.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.373 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 1.6 p-10 -39.39 -29.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -52.81 -37.65 60.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' LEU . 65.5 mttt -116.68 -28.98 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 83' ' ' GLY . 2.2 mp -70.64 -49.05 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 41.5 t-20 -52.72 -29.21 25.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -85.87 -29.68 23.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 95' ' ' ILE . 2.3 tp -71.41 -37.63 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.599 ' N ' HG22 ' A' ' 94' ' ' ILE . 9.5 mm -83.37 -38.3 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 100' ' ' SER . 75.8 tttt -71.2 -23.54 62.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 93' ' ' THR . 14.7 tt0 -85.07 -42.85 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.442 ' CG2' HD13 ' A' ' 99' ' ' LEU . 2.4 tp -68.8 -19.97 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 104' ' ' SER . 4.2 mp -100.46 -27.26 13.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 31.3 t -84.93 -13.76 49.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 110.045 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.613 ' O ' ' CB ' ' A' ' 102' ' ' SER . 4.3 tp -62.76 -11.35 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.1 m 149.02 38.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.624 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 1.4 t -146.83 8.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.57 ' O ' ' C ' ' A' ' 105' ' ' GLU . 16.2 m -116.16 -47.82 2.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.605 ' O ' ' N ' ' A' ' 107' ' ' GLY . 6.4 tp10 -24.08 -52.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 105' ' ' GLU . 1.2 tm-20 29.33 36.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 105' ' ' GLU . . . 65.45 -54.44 0.13 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 6.4 mt-10 -94.84 -19.47 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.1 OUTLIER 95.61 -65.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 173.97 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.53 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 0.1 OUTLIER -151.08 128.2 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 111' ' ' LEU . 0.9 OUTLIER 163.84 -52.05 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.95 137.51 21.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 111.044 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' ' CD1' ' A' ' 15' ' ' ILE . 48.4 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -54.57 -66.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.94 -72.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -118.69 -64.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 50.02 -172.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.24 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -116.21 -75.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.62 ' CD2' ' CG ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -40.72 -28.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.64 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -48.02 -22.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 6.5 tpt180 -39.89 -28.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 8.6 mttt 159.16 -20.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 1.023 ' CZ3' ' CE1' ' A' ' 51' ' ' PHE . 1.1 t90 -69.13 -47.67 64.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 108.001 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.62 ' CG ' ' CD2' ' A' ' 9' ' ' HIS . 6.0 t0 -69.65 -30.42 68.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.485 ' CD1' ' SG ' ' A' ' 3' ' ' CYS . 11.9 mm -72.86 -40.44 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.607 ' HG ' ' CB ' ' A' ' 43' ' ' ARG . 1.3 tm? -75.24 -33.29 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.391 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -80.45 -18.32 49.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 5.2 mm-40 -96.69 -13.77 22.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.242 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -104.55 -68.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.482 ' N ' ' SD ' ' A' ' 27' ' ' MET . 38.7 m -51.85 -89.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 84' ' ' GLN . 1.6 p -69.48 0.74 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.444 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' HA3' ' C ' ' A' ' 18' ' ' GLU . . . -77.84 -15.67 80.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.617 1.198 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.534 ' CG2' ' HB1' ' A' ' 26' ' ' ALA . 3.4 m -127.85 -50.31 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 0.798 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.511 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 3.4 ttp 81.85 22.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 177.66 -40.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HB1' ' CG2' ' A' ' 23' ' ' VAL . . . -54.1 -20.43 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 20' ' ' SER . 6.2 ptm -162.24 10.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' NZ ' ' OE1' ' A' ' 35' ' ' GLU . 2.2 tptp -92.76 -11.44 33.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 p -101.89 33.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -80.65 54.27 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.3 OUTLIER 79.93 -5.66 1.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER 74.35 -54.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.549 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 15.5 mt-10 -57.71 -41.2 81.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.66 -21.24 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -66.6 -17.32 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.579 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 3.4 pt20 -120.92 -32.08 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.54 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 81.1 mt -74.6 -66.95 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.563 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.7 m -66.26 -14.44 61.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.564 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -95.04 -14.75 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -121.66 6.44 9.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -131.18 -44.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' A' ' 38' ' ' SER . 4.7 t0 -78.01 2.61 17.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.63 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 5.5 mpt_? -132.64 -41.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.557 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -64.86 -27.75 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' A' ' 44' ' ' MET . 1.0 OUTLIER -43.74 -87.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 3.0 mt-10 -93.35 -15.42 25.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.63 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -72.14 -38.04 59.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HA ' ' HB3' ' A' ' 51' ' ' PHE . 3.3 mp -87.02 -50.6 6.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.401 ' O ' HD13 ' A' ' 52' ' ' ILE . 50.0 m-20 -53.37 -50.48 65.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -70.42 -38.47 74.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 1.023 ' CE1' ' CZ3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -44.49 -47.41 10.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 111.063 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.729 HG13 ' CD2' ' A' ' 51' ' ' PHE . 0.5 OUTLIER -70.2 -45.56 75.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -2.09 18.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' ALA . 4.3 mm? -122.87 -14.83 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.686 ' CZ ' ' HA ' ' A' ' 58' ' ' SER . 0.6 OUTLIER -124.76 -72.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 8.9 m-20 147.35 -50.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.9 pt-20 164.19 39.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.686 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . 6.7 p 52.61 69.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.674 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 1.0 OUTLIER -168.91 47.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.748 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER 151.36 25.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.682 ' N ' ' CE1' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -31.8 -37.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.6 OUTLIER -177.71 -55.85 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.4 Cg_endo -75.03 -89.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.423 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 0.3 OUTLIER 169.45 -42.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.3 tt -139.09 13.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.474 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -110.22 -9.19 14.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.516 ' HB3' ' CB ' ' A' ' 61' ' ' ASP . 2.7 mm? -139.98 -38.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.448 ' CG ' ' HA ' ' A' ' 59' ' ' GLU . 4.4 t0 -61.32 -57.27 13.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.48 -12.84 55.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.375 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -76.58 -29.13 56.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 67' ' ' LEU . 2.3 m -98.86 -36.66 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.09 79.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 47.4 mt-10 -73.91 -21.23 60.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 110.285 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -51.22 14.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.37 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.493 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -72.22 -26.34 62.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -83.13 -59.62 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.562 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 7.0 tm0? -49.9 -42.08 47.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.79 -48.64 36.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -62.33 -7.87 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 64.0 t0 -112.72 -26.85 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.557 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 8.6 ptm -70.94 -27.6 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 174.67 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.453 ' HA2' ' HA ' ' A' ' 79' ' ' ARG . . . 122.76 74.7 0.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.435 1.085 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.578 ' O ' ' CB ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER 54.51 14.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.1 tt0 154.2 -52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER 154.56 41.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 91' ' ' LEU . 15.6 tp -127.26 10.34 6.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.567 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -37.45 -32.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' LEU . 2.2 tt0 -46.79 -40.92 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.08 -18.15 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.547 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -80.84 -27.99 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 54.3 t30 -64.37 -37.16 86.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -82.08 -37.83 25.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.476 ' CG2' HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -68.77 -39.88 80.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.547 ' CG2' ' O ' ' A' ' 91' ' ' LEU . 2.3 pp -71.49 -42.41 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 100' ' ' SER . 56.2 tttm -63.79 -29.08 70.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.567 ' O ' ' CG2' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -83.21 -44.01 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.552 ' O ' ' CG2' ' A' ' 103' ' ' VAL . 1.0 OUTLIER -70.35 -12.81 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 95' ' ' ILE . 12.8 mt -109.23 -17.18 13.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 44.5 t -101.54 -9.32 21.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.617 ' O ' ' CB ' ' A' ' 102' ' ' SER . 7.7 pt -63.04 -8.36 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.3 t 95.42 33.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.552 ' CG2' ' O ' ' A' ' 98' ' ' ILE . 28.1 m -116.37 -35.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.1 t -114.61 -32.01 6.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 109' ' ' LYS . 32.1 mt-10 -79.38 -2.71 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.177 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -13.39 30.18 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 108' ' ' GLU . . . -83.54 49.46 4.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.578 1.173 . . . . 0.0 110.952 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 4.1 tt0 81.19 44.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 105' ' ' GLU . 0.2 OUTLIER 43.06 64.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.51 -74.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 112' ' ' VAL . 0.1 OUTLIER -150.08 -50.11 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.51 ' C ' ' O ' ' A' ' 111' ' ' LEU . 8.7 p 31.84 80.72 0.24 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.08 21.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' CG2' ' A' ' 15' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -70.45 -53.86 14.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -49.64 -65.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' PHE . 2.0 t80 -36.27 -61.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 177.77 -72.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' C ' ' CG ' ' A' ' 9' ' ' HIS . 39.6 mttm -120.57 -93.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.471 ' CB ' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER 178.77 35.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 0.0 109.607 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m80 47.65 49.06 16.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.578 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' CB ' ' CZ ' ' A' ' 51' ' ' PHE . 6.3 mmt180 68.64 20.31 8.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' CA ' HG13 ' A' ' 15' ' ' ILE . 25.6 mttt 69.25 41.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.682 ' CH2' ' HA ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -87.27 -53.43 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.097 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 17.3 t70 -69.98 -25.58 63.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.697 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -81.42 -42.16 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 1.9 tm? -62.66 -30.54 71.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HA ' ' OG1' ' A' ' 21' ' ' THR . 4.9 tp -96.51 -20.71 18.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.572 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 9.7 tt0 -122.27 35.52 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.697 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -162.03 -35.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.423 ' CB ' ' HB3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -96.1 -34.38 11.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 17' ' ' LEU . 14.5 p -122.58 62.49 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.48 32.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.159 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.587 ' CG2' ' HA ' ' A' ' 19' ' ' LYS . 37.9 t -124.1 -85.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.737 . . . . 0.0 109.338 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.61 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 4.0 ptm -128.38 -11.77 5.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.61 ' CB ' ' O ' ' A' ' 24' ' ' MET . 1.4 mt-10 95.12 2.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.354 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' HB1' ' CE ' ' A' ' 24' ' ' MET . . . -60.76 -18.4 54.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.423 ' HB3' ' CB ' ' A' ' 20' ' ' SER . 1.7 mpp? -123.0 -11.19 8.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.539 ' CG ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -98.71 -15.8 19.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 25' ' ' GLU . 1.5 p -119.35 27.98 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.6 m -59.01 85.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER 49.17 20.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.528 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 12.5 mt-10 64.82 -66.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 110.323 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.1 mt-10 -47.3 -42.76 21.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -93.18 -19.26 21.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.528 ' OE1' ' HA ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -60.14 -24.85 65.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 2.8 pp0? -119.64 -34.01 3.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -69.21 -62.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 18.0 m -71.29 -16.85 62.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 2.1 m -91.82 -13.08 32.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -120.1 2.64 10.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.615 ' O ' ' C ' ' A' ' 42' ' ' ASP . 60.1 mt -122.26 -40.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -22.44 -72.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.593 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 11.1 mmt180 -128.29 -6.94 5.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.661 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 10.7 mtt -68.27 -17.65 64.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 1.6 t-20 -58.24 -91.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -80.87 -17.09 51.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.649 ' O ' ' CG ' ' A' ' 51' ' ' PHE . . . -74.68 -43.63 28.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.672 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -64.69 -41.0 96.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.346 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.51 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -63.68 -41.65 98.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.353 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -81.87 -71.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.671 ' HB3' ' CE3' ' A' ' 13' ' ' TRP . 22.1 m-85 -34.45 -43.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.672 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -64.59 -49.47 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 50' ' ' ALA . 4.1 tt0 -68.85 -6.63 28.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.6 -33.65 8.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.629 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 77.9 m-85 -121.79 -64.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.629 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 7.7 t30 145.24 -13.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.682 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 3.1 tp10 75.48 23.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.21 -32.02 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.554 ' C ' ' CD1' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -112.08 -50.05 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.262 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.595 HG13 ' CE3' ' A' ' 13' ' ' TRP . 1.8 mp 73.0 2.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 10.4 t70 -97.21 -62.07 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.582 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER 153.58 -59.48 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.57 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 0.2 OUTLIER 93.04 35.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.7 mm -113.66 -12.74 11.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.507 ' O ' ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -154.45 56.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER 173.65 -20.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.198 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.597 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 30.1 t0 -60.42 -56.32 22.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 1.1 t70 -83.97 -20.78 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.445 ' CB ' ' HA ' ' A' ' 67' ' ' LEU . 1.2 t0 -68.55 -26.24 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 m -112.36 -48.32 3.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.597 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -55.01 -44.64 74.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -66.4 -16.19 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.469 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -78.4 -55.41 5.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.523 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -77.26 -22.11 52.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 5.4 mmtp -82.7 -59.96 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.577 ' O ' ' CG ' ' A' ' 81' ' ' MET . 31.7 tt0 -54.67 -39.92 68.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 74' ' ' LEU . . . -69.67 -58.99 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -67.56 -0.79 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 12.1 t0 -104.22 -40.72 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.577 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -58.27 -53.45 58.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -150.51 -5.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 111.008 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 84' ' ' GLN . . . 111.81 37.51 1.55 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.582 ' CB ' ' O ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER 92.83 -34.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 110.287 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -174.22 26.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.592 ' CG ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 79.21 36.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.479 ' CD2' HD22 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -122.77 6.03 9.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.571 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER -41.74 -28.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -49.29 -39.05 29.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -123.11 -20.65 5.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.16 -28.85 48.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 55.4 t30 -68.89 -37.72 79.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 3.0 m -78.71 -35.55 44.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.516 ' CD1' ' OE1' ' A' ' 36' ' ' GLN . 25.8 mm -75.01 -36.78 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 91' ' ' LEU . 15.2 tt -74.9 -48.31 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.599 ' O ' ' CB ' ' A' ' 100' ' ' SER . 2.6 tttt -66.16 -26.13 67.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 93' ' ' THR . 15.1 tt0 -78.44 -42.81 28.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.408 ' HB ' ' O ' ' A' ' 94' ' ' ILE . 1.1 tp -73.62 -10.89 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.549 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -111.95 -12.72 13.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 70.7 m -110.96 -7.42 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.698 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.4 tp -61.21 -29.12 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 4.3 m 138.95 41.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.059 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.549 ' CG2' ' HA ' ' A' ' 99' ' ' LEU . 6.7 m -124.26 -46.36 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 99' ' ' LEU . 1.4 t -80.67 21.27 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 103' ' ' VAL . 0.3 OUTLIER 73.89 35.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 108' ' ' GLU . 1.4 tt0 -40.62 -34.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.28 -21.44 1.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 2.4 mt-10 -114.13 -72.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.623 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER 153.67 115.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 104' ' ' SER . 1.6 tt0 65.35 -78.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.464 HD21 ' CD ' ' A' ' 113' ' ' PRO . 0.5 OUTLIER -176.83 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.6 t 65.1 65.76 0.93 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.464 ' CD ' HD21 ' A' ' 111' ' ' LEU . 18.2 Cg_endo -75.05 175.74 10.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.223 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.508 ' HB3' ' CB ' ' A' ' 12' ' ' LYS . 3.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.6 m -82.89 -78.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -92.51 -0.01 57.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.436 ' C ' ' CG ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -79.48 -43.95 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' CG ' ' C ' ' A' ' 6' ' ' PHE . 2.2 pt-20 41.0 80.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -122.2 -70.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 49.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.611 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.584 ' CE1' ' HA2' ' A' ' 47' ' ' GLY . 28.7 m80 56.24 67.77 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.546 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER 66.84 15.38 10.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.581 ' O ' ' N ' ' A' ' 15' ' ' ILE . 2.5 tttt 69.21 94.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.973 ' CE3' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -47.44 -35.11 8.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 10.3 t70 -61.55 -26.32 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -76.65 -37.0 28.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' HG ' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -76.36 -32.55 58.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 55.1 tp -84.04 -19.81 33.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 5.1 tm-20 -95.39 -18.7 20.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -91.89 -34.15 14.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.52 ' HA ' ' CB ' ' A' ' 27' ' ' MET . 47.2 t -93.74 -71.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.064 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.592 ' CG2' ' CB ' ' A' ' 78' ' ' ALA . 63.2 m -84.28 24.2 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.96 -5.11 4.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 26' ' ' ALA . 3.7 t -122.25 -41.13 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.455 ' N ' ' HE1' ' A' ' 24' ' ' MET . 0.0 OUTLIER 72.26 30.63 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 14.3 tt0 -178.11 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -64.85 -24.65 67.61 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.52 ' CB ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -156.03 15.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.571 ' HE3' ' CG ' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -110.39 -16.66 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.388 1.055 . . . . 0.0 109.275 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.531 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 55.2 t -99.11 46.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.49 ' CG2' ' HA ' ' A' ' 35' ' ' GLU . 4.0 t -132.39 71.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.797 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.3 m 55.93 102.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.613 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -25.27 -73.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.546 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 5.4 mt-10 -45.9 -35.16 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.752 ' N ' ' O ' ' A' ' 31' ' ' SER . 6.5 mttt -89.06 -24.69 22.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.364 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.797 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -58.67 -17.56 23.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 2.5 tp-100 -121.56 -35.69 3.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' CD1' ' O ' ' A' ' 33' ' ' GLU . 11.0 mp -69.34 -64.54 0.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -23.28 67.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -80.93 -19.03 45.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.518 ' HB3' ' CG1' ' A' ' 98' ' ' ILE . . . -121.96 5.73 9.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.599 ' O ' ' C ' ' A' ' 42' ' ' ASP . 60.5 mt -109.27 -43.81 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.599 ' C ' ' O ' ' A' ' 41' ' ' ILE . 8.7 t70 -24.01 -64.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -137.43 -7.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.646 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -77.81 -18.29 56.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.475 ' OD1' ' CG2' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -46.2 -77.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -88.51 -22.83 23.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 10' ' ' HIS . . . -72.45 -44.79 40.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.646 ' CB ' ' O ' ' A' ' 44' ' ' MET . 1.3 tt -68.86 -51.21 42.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 0.805 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' OD2' HG23 ' A' ' 101' ' ' ILE . 65.4 m-20 -55.51 -34.84 64.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.58 -72.56 0.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.973 ' CE1' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -46.55 -51.39 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.675 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 2.0 tt -54.26 -42.22 55.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' CD ' ' CG1' ' A' ' 103' ' ' VAL . 1.7 tt0 -78.86 -2.5 40.09 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.11 -15.96 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.616 ' CE1' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -121.27 -71.19 0.74 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.614 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 1.4 m120 150.85 -18.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.614 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.0 OUTLIER 95.18 10.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 57.8 m -174.14 33.6 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.616 ' O ' ' CE1' ' A' ' 55' ' ' TYR . 4.9 tt0 -136.35 39.29 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.258 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.687 ' CG1' ' CZ3' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -70.04 -46.43 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.736 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 28.8 t0 -61.6 -48.49 80.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.391 1.057 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.736 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 12.0 tt0 110.68 -52.01 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.683 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.4 Cg_endo -74.95 -42.98 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.53 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER 76.58 41.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.474 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 2.6 mt -130.61 2.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -172.03 63.52 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 110.384 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 66' ' ' GLN . 3.5 mt 161.46 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.568 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.5 t70 -64.91 -45.59 85.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.3 m-20 -84.8 -17.69 37.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.5 -34.41 70.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.6 m -101.23 -33.85 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -68.88 -30.89 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.362 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 22.8 tt0 -63.41 -24.01 67.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 52.1 mt -86.09 -57.06 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -61.67 -29.09 69.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 50.0 mtpt -82.33 -62.05 1.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.553 ' O ' ' HB3' ' A' ' 81' ' ' MET . 37.5 tt0 -53.55 -29.54 37.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.592 ' CB ' ' CG2' ' A' ' 21' ' ' THR . . . -80.01 -57.63 3.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.597 ' HA ' ' CA ' ' A' ' 83' ' ' GLY . 1.3 ttp180 -72.76 5.87 2.89 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 21.6 t0 -116.72 -45.14 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.553 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.14 -32.2 71.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.6 ' CG ' ' HA ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 176.29 30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.597 ' CA ' ' HA ' ' A' ' 79' ' ' ARG . . . 86.54 -29.96 4.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.571 ' CG ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 164.27 -14.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -172.63 -40.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.615 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER 154.84 39.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 91' ' ' LEU . 15.2 mt -128.31 -2.82 5.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 87' ' ' LEU . 14.9 p-10 -32.98 -39.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 87' ' ' LEU . 12.6 pt-20 -42.18 -46.89 4.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -121.39 -12.82 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.564 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.5 OUTLIER -79.09 -19.64 50.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.509 ' O ' HG21 ' A' ' 95' ' ' ILE . 20.9 m-20 -59.82 -43.05 94.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.496 ' O ' ' CG ' ' A' ' 97' ' ' GLN . 5.9 p -88.82 -29.42 19.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.49 ' CG2' HD13 ' A' ' 37' ' ' LEU . 1.2 mp -74.42 -29.27 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 10.2 tt -77.58 -45.26 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -72.42 -20.42 61.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.621 ' O ' ' CA ' ' A' ' 101' ' ' ILE . 77.4 mt-30 -89.74 -43.03 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.518 ' CG1' ' HB3' ' A' ' 40' ' ' ALA . 3.7 tp -81.45 -8.77 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.634 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 4.4 tt -97.05 -41.83 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.497 ' OG ' ' CB ' ' A' ' 104' ' ' SER . 0.4 OUTLIER -126.93 -32.45 2.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.621 ' CA ' ' O ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER 61.99 20.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.57 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 1.4 t 91.45 18.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.405 ' CG1' ' CD ' ' A' ' 53' ' ' GLN . 82.4 t -98.19 -11.88 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.618 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 0.3 OUTLIER -67.42 -6.39 19.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.952 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.618 ' CB ' ' O ' ' A' ' 104' ' ' SER . 25.5 tt0 96.36 17.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 72.23 -50.62 0.7 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 43.74 25.7 0.63 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 58.26 42.59 21.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.555 0.797 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt 58.19 35.43 25.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.88 -54.57 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.87 -66.36 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.1 m -125.09 92.28 47.73 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -50.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.438 1.757 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 16.6 t . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -35.37 80.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.456 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -119.62 -87.4 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -122.08 -64.68 1.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 3' ' ' CYS . 20.1 mp0 52.95 176.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.06 -56.68 1.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.603 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 6.1 m-70 -102.54 -38.22 7.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -47.61 -32.9 6.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.536 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' HB3' ' N ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -99.98 31.18 3.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' HIS . 6.5 mmtt -124.91 -63.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.656 ' CZ2' ' HA ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -71.15 -69.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 107.924 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -47.03 -32.62 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.404 ' HB ' ' C ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -70.21 -37.55 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -74.39 -35.84 63.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 HD11 ' CG2' ' A' ' 21' ' ' THR . 10.1 tp -81.16 -14.55 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 2.6 mm-40 -103.53 -9.72 19.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 2.6 mtpt -109.64 -66.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.5 ' HA ' ' CB ' ' A' ' 27' ' ' MET . 47.8 m -55.75 -91.49 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.541 1.151 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.471 ' CG2' HD11 ' A' ' 17' ' ' LEU . 7.1 t -85.47 29.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 110.354 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 18' ' ' GLU . . . -119.49 -14.13 5.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.058 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 24' ' ' MET . 3.2 t -124.79 -41.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.184 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.527 ' HB3' ' O ' ' A' ' 23' ' ' VAL . 3.8 ttp 81.13 29.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' CG ' HG12 ' A' ' 29' ' ' VAL . 27.9 tt0 -179.57 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.487 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . . . -61.5 -25.44 67.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.5 ' CB ' ' HA ' ' A' ' 20' ' ' SER . 1.2 mmt -152.21 14.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 9.2 tptt -114.01 -12.43 12.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.509 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 1.7 p -107.95 46.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.659 ' O ' ' CB ' ' A' ' 31' ' ' SER . 18.1 m -112.42 -24.9 9.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.73 ' O ' ' N ' ' A' ' 34' ' ' LYS . 2.9 m 144.9 109.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 31' ' ' SER . 1.1 mt-10 -29.94 -64.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.526 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -47.25 -31.62 3.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.73 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -94.67 -27.09 16.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.681 ' N ' ' O ' ' A' ' 31' ' ' SER . 22.7 mt-10 -71.05 -5.65 33.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 13.7 pt20 -123.72 -41.93 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.548 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 1.4 mt -84.98 -56.17 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 3.8 m -69.84 -18.97 63.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 16.6 m -92.39 -22.58 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -107.95 1.2 22.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.592 ' O ' ' C ' ' A' ' 42' ' ' ASP . 4.1 mm -120.4 -44.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -24.72 -69.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.602 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -131.51 -15.86 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.496 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 15.0 mtt -70.54 -20.53 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.436 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 4.6 t30 -52.93 -86.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 2.1 tt0 -84.03 -20.65 32.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.602 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -69.87 -53.42 15.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.532 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 1.5 tp -62.05 -53.94 48.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.357 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 8.3 m-20 -49.25 -40.08 32.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -78.96 -75.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.603 ' CE2' ' HB3' ' A' ' 9' ' ' HIS . 0.1 OUTLIER -37.09 -53.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.556 HD11 ' CA ' ' A' ' 57' ' ' GLU . 2.3 mm -59.36 -44.85 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 21.3 tt0 -65.37 -10.43 33.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -29.04 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CZ ' ' O ' ' A' ' 60' ' ' ILE . 9.6 m-85 -121.91 -68.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.621 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER 151.76 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.656 ' HA ' ' CZ2' ' A' ' 13' ' ' TRP . 3.0 tm-20 98.0 37.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 36.1 m -158.17 -50.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.509 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 1.2 pm0 -68.71 -58.31 4.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.61 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER 76.3 -9.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 11.6 t70 -148.27 -50.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.558 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 1.5 tt0 157.4 -59.78 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.3 Cg_endo -75.01 -80.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -168.32 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.478 ' HB ' ' O ' ' A' ' 64' ' ' LEU . 20.6 mm 73.52 13.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 59.59 21.22 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.459 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.0 OUTLIER -140.87 2.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.552 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -67.59 -27.43 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 15.6 m-20 -84.31 -20.73 31.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -78.96 -31.66 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.356 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -95.21 -38.75 10.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -67.69 -36.52 80.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 3.4 tt0 -73.26 -26.27 61.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 17.5 mt -70.41 -59.07 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.515 ' HG3' ' N ' ' A' ' 76' ' ' LYS . 2.8 ptt? -66.61 -34.04 76.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' N ' ' HG3' ' A' ' 75' ' ' MET . 5.8 ttmm -71.48 -68.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 7.1 pt20 -51.94 -20.13 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -76.23 -80.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.417 1.073 . . . . 0.0 109.333 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.55 ' HA ' ' HA2' ' A' ' 83' ' ' GLY . 6.4 ptm180 -56.11 -6.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 78' ' ' ALA . 6.9 m-20 -88.66 -51.89 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -58.82 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.537 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -167.59 21.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.595 ' O ' ' HB3' ' A' ' 87' ' ' LEU . . . 85.1 41.18 7.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.473 ' HB3' ' O ' ' A' ' 83' ' ' GLY . 5.8 tp60 77.51 -17.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.757 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 83' ' ' GLY . 1.1 pm0 -179.26 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.474 ' O ' ' CD1' ' A' ' 91' ' ' LEU . 4.3 tttp -177.68 29.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.595 ' HB3' ' O ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -91.68 34.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 4.0 t30 -122.64 -43.53 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -34.39 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -115.46 -10.75 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.494 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 1.3 mp -80.49 -17.69 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 20.3 t30 -64.44 -36.31 83.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 29.7 m -86.63 -35.88 19.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.392 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.422 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 1.2 mp -70.8 -35.77 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 4.9 mm -81.9 -38.07 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 100' ' ' SER . 12.5 ttpt -74.35 -18.96 60.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 93' ' ' THR . 30.4 tt0 -88.68 -45.51 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.512 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 5.6 tp -66.24 -25.79 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' A' ' 104' ' ' SER . 10.0 mp -91.23 -37.1 13.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 43.9 t -77.27 -10.47 59.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.607 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.4 OUTLIER -66.98 -11.4 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.607 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 4.4 p 147.96 46.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.5 HG22 ' CG1' ' A' ' 52' ' ' ILE . 1.6 t -147.21 -45.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.24 -32.3 15.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 104' ' ' SER . 1.2 tt0 -37.2 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -156.91 72.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 108' ' ' GLU . . . -83.32 22.4 7.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.622 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 4.9 tt0 90.03 6.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.622 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER 154.11 118.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 109' ' ' LYS . 2.7 tt0 159.16 77.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.2 mp 54.04 175.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.421 ' N ' ' HD3' ' A' ' 113' ' ' PRO . 3.1 p -177.7 64.43 0.19 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 112' ' ' VAL . 18.5 Cg_endo -75.0 -68.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.542 1.811 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 t -57.98 -35.53 71.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 0.0 110.42 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.5 -75.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 9.0 m-85 -115.15 -86.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER 167.78 70.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.77 -93.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.566 ' CE1' ' CD2' ' A' ' 54' ' ' LEU . 5.4 m170 -103.62 -17.31 15.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 109.61 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.603 ' CD2' ' N ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -74.73 -23.08 58.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.538 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 20.24 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.398 1.061 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' N ' ' HB ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -141.88 -70.05 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.719 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 1.5 t90 -58.86 -71.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 107.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 25.7 t0 -54.5 -21.84 11.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.55 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 1.2 mm -77.41 -25.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' CD1' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -81.68 -30.19 32.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.535 ' CD2' ' OE1' ' A' ' 59' ' ' GLU . 41.5 tp -95.37 -12.29 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.577 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 6.9 tt0 -106.22 -16.84 14.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 2.3 tttt -115.16 -20.78 10.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.614 ' CA ' ' HB3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -121.34 60.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.988 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.1 t -122.86 19.18 10.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.493 ' N ' ' CG ' ' A' ' 27' ' ' MET . . . 84.41 -9.52 64.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.9 t -76.95 -49.7 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -83.53 -10.64 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.491 ' CG ' ' HB ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER 79.31 -3.38 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.85 -12.03 59.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.614 ' HB3' ' CA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -127.24 -3.27 6.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.98 -1.81 8.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.509 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -123.23 24.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.503 ' HB ' ' CB ' ' A' ' 35' ' ' GLU . 9.0 m -110.17 27.63 9.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.419 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER 79.14 -0.39 2.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.6 mt-10 77.72 -52.36 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.48 -43.0 86.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.238 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -82.03 -16.94 48.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.581 ' CG ' ' O ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -71.16 -45.6 63.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.533 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 13.7 mm-40 -80.14 -36.79 34.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.522 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -59.28 -47.54 84.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.651 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 1.3 m -70.19 -46.58 64.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.521 ' OG1' ' CD1' ' A' ' 16' ' ' LEU . 1.3 t -68.16 -1.59 6.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' HB2' ' CG2' ' A' ' 94' ' ' ILE . . . -120.52 -12.16 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.604 ' O ' ' C ' ' A' ' 42' ' ' ASP . 3.3 mt -128.77 -52.62 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.651 ' CB ' ' O ' ' A' ' 38' ' ' SER . 28.1 t0 -23.13 -68.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.659 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 14.9 mmt-85 -127.52 -11.32 5.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.369 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.67 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.22 -19.76 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.514 ' CG ' ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -63.11 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' H ' ' CG ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -79.01 -16.92 56.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.659 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -75.78 -37.83 38.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.733 ' O ' ' CG2' ' A' ' 52' ' ' ILE . 5.1 tp -68.14 -52.43 34.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.529 ' O ' HG21 ' A' ' 52' ' ' ILE . 2.5 m-20 -59.26 -39.96 84.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -74.63 -72.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.719 ' HB3' ' CE3' ' A' ' 13' ' ' TRP . 22.8 m-30 -41.11 -51.33 3.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.733 ' CG2' ' O ' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -52.94 -43.87 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . 43.2 tt0 -89.32 8.47 30.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.566 ' CD2' ' CE1' ' A' ' 9' ' ' HIS . 2.6 mp -117.83 -17.59 9.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.647 ' CE1' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -111.25 -64.66 1.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.627 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 3.6 m-20 156.92 -5.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.394 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.627 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.2 mt-10 96.59 80.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.5 m 156.81 -22.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.66 ' CG ' ' CD2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER 86.05 -7.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.498 ' CD1' ' HB ' ' A' ' 71' ' ' THR . 0.6 OUTLIER -158.07 16.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.502 ' CB ' ' HB3' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -40.9 -35.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 137.17 1.48 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 83.21 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.46 -19.67 19.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.522 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 0.9 OUTLIER 72.42 21.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 169.38 55.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.459 HD23 ' CG2' ' A' ' 60' ' ' ILE . 1.4 tp -169.35 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.199 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 24.7 t0 -66.95 -48.32 68.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.0 p30 -83.64 -20.52 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.37 -33.51 74.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.498 ' HB ' ' CD1' ' A' ' 60' ' ' ILE . 1.2 m -102.21 -47.88 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -54.68 -41.04 69.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 10.1 tt0 -74.6 -17.18 60.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.487 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 1.4 tp -71.97 -53.51 12.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.517 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -78.29 -21.35 49.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.81 -59.29 2.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 6.8 pt20 -56.99 -38.11 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.566 ' CB ' ' HA ' ' A' ' 84' ' ' GLN . . . -72.42 -61.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 75' ' ' MET . 0.6 OUTLIER -51.98 -13.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 78' ' ' ALA . 11.3 t0 -103.93 -27.07 12.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.521 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 6.0 ptp -73.25 -17.42 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.588 1.18 . . . . 0.0 111.024 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.494 ' CG ' ' CG ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 173.49 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 85' ' ' GLU . . . 135.21 45.08 0.1 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.566 ' HA ' ' CB ' ' A' ' 78' ' ' ALA . 2.9 tt0 77.09 -20.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.303 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 83' ' ' GLY . 5.7 tm-20 177.12 29.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.494 ' CG ' ' CG ' ' A' ' 82' ' ' TYR . 0.6 OUTLIER 70.86 41.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 57.8 tp -122.62 6.04 9.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 23.9 p-10 -51.45 -34.5 35.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -38.64 -41.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -121.42 -25.98 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 94' ' ' ILE . 3.1 tp -67.38 -45.98 74.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.506 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 3.6 p30 -40.22 -33.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.219 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.471 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 53.4 m -84.02 -36.64 22.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.445 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.4 mm -71.64 -37.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.499 ' CG2' ' HA ' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -71.81 -44.89 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.615 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -65.02 -25.74 67.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.338 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -78.08 -45.13 24.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.509 HG21 ' CD2' ' A' ' 48' ' ' LEU . 1.1 mp -75.25 -12.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.503 ' CD1' HG23 ' A' ' 98' ' ' ILE . 4.8 mp -105.03 -21.13 13.33 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.1 t -96.18 -10.08 28.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.3 OUTLIER -60.32 -10.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 1.3 t 86.48 45.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.478 ' HB ' ' CG1' ' A' ' 52' ' ' ILE . 8.9 m -136.25 -51.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 3.5 t -43.9 -49.64 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.937 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 104' ' ' SER . 0.5 OUTLIER 155.53 40.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 1.067 . . . . 0.0 110.328 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -70.6 -50.66 34.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.4 49.34 3.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.494 ' OE2' ' CB ' ' A' ' 109' ' ' LYS . 1.5 pp20? -163.51 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 0.722 . . . . 0.0 110.36 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER 178.11 121.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER 88.67 102.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.29 -174.23 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 58.1 t -131.44 71.54 81.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.67 6.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.438 1.757 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.476 ' CB ' HD13 ' A' ' 15' ' ' ILE . 19.0 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 t -121.15 -0.1 10.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.96 -39.32 94.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -66.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.54 -81.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -100.45 -93.66 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.438 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -175.55 33.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 11' ' ' ARG . 5.4 m-70 42.72 45.75 4.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 109.524 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.583 ' CD ' ' CE1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER 78.21 37.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 2.9 ptpp? 50.47 32.97 7.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.362 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.616 ' CZ2' ' HB3' ' A' ' 51' ' ' PHE . 6.0 m0 -72.54 -46.28 55.24 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' ' HB ' ' A' ' 60' ' ' ILE . 29.2 t70 -78.1 -26.78 48.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.476 HD13 ' CB ' ' A' ' 3' ' ' CYS . 25.9 mm -75.81 -36.19 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 39' ' ' THR . 1.9 tm? -80.67 -36.23 32.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -74.15 -24.78 59.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -94.1 -22.28 18.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' SER . 11.9 mttt -76.78 -40.16 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.69 ' O ' ' CG2' ' A' ' 21' ' ' THR . 11.3 p -33.55 -59.86 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.69 ' CG2' ' O ' ' A' ' 20' ' ' SER . 1.2 t 86.43 -39.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.671 ' N ' HG23 ' A' ' 21' ' ' THR . . . 61.87 -2.05 1.07 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.569 1.168 . . . . 0.0 110.936 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.653 ' O ' ' CG ' ' A' ' 24' ' ' MET . 43.7 t -61.77 -24.71 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.653 ' CG ' ' O ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER 82.96 21.22 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.54 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.39 -16.32 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.44 ' N ' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER 171.78 34.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.509 ' NZ ' ' OE1' ' A' ' 35' ' ' GLU . 10.3 mmmt -131.73 -0.08 3.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.1 p -83.14 48.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.621 ' CG2' ' O ' ' A' ' 30' ' ' THR . 1.1 m -109.41 54.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER 72.05 10.54 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 3.7 mt-10 62.86 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.275 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.518 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -46.82 -37.51 8.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' CG ' ' OG ' ' A' ' 38' ' ' SER . 0.9 OUTLIER -88.66 -19.56 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -57.25 -28.4 62.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 1.4 mm-40 -117.09 -22.39 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' A' ' 41' ' ' ILE . 49.2 mt -85.41 -60.22 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.516 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . 65.3 m -64.14 -19.33 65.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.562 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 61.1 p -93.26 -26.14 17.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.599 ' HB1' ' CG1' ' A' ' 98' ' ' ILE . . . -107.72 3.1 24.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -119.1 -36.25 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.562 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -27.7 -64.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -130.36 -12.51 3.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.704 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 4.2 mtt -72.56 -23.01 60.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -40.86 -83.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.571 1.17 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -85.29 -19.39 31.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.9 -34.27 71.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.59 1.181 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.704 ' HB3' ' O ' ' A' ' 44' ' ' MET . 1.0 OUTLIER -82.41 -58.21 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' ' 52' ' ' ILE . 59.4 t0 -44.24 -36.83 2.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.81 -65.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.616 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 3.2 m-85 -50.05 -33.99 20.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.594 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.31 -49.24 83.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.183 . . . . 0.0 109.336 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 9.1 tt0 -75.01 -2.47 27.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 tp -107.08 -27.55 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.632 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 6.3 m-85 -123.94 -73.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.606 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER 175.4 -56.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.606 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 3.9 tm-20 152.19 -12.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.524 ' O ' ' CD1' ' A' ' 67' ' ' LEU . 6.6 m -128.94 44.81 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.632 ' OE2' ' CE2' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -102.51 26.12 8.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.547 HG21 ' CG2' ' A' ' 71' ' ' THR . 0.1 OUTLIER -65.3 -42.93 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' H ' ' CD1' ' A' ' 60' ' ' ILE . 12.1 t0 -116.02 -55.15 2.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 45.0 78.02 0.42 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 18.3 Cg_endo -74.96 0.29 9.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.777 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 3.4 tp 85.82 2.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.38 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -96.12 -22.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.426 1.079 . . . . 0.0 109.243 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.632 ' O ' ' CG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -175.34 -71.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.632 ' CG ' ' O ' ' A' ' 66' ' ' GLN . 0.3 OUTLIER 89.67 -34.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.651 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.4 t70 -69.94 -45.39 67.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -82.64 -10.01 59.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.47 -34.58 63.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.547 ' CG2' HG21 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -110.56 -20.91 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.371 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.651 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -80.14 -32.99 38.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 29.7 tt0 -60.58 -30.04 69.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.29 -60.63 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.499 ' CG ' ' HA ' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -50.89 -31.96 19.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 14.0 mtpt -80.75 -51.77 8.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 81' ' ' MET . 27.9 tp60 -54.55 -25.43 25.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 84' ' ' GLN . . . -87.47 -71.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.546 ' HA ' ' HA2' ' A' ' 83' ' ' GLY . 0.3 OUTLIER -48.12 -18.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 41.1 t0 -96.85 -38.59 9.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.546 ' CB ' ' O ' ' A' ' 77' ' ' GLN . 5.3 ttp -60.01 -19.26 51.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.499 ' CD2' ' CD ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 170.83 -21.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.956 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 79' ' ' ARG . . . 129.99 28.38 0.73 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.501 ' HB3' ' O ' ' A' ' 83' ' ' GLY . 26.5 tp60 74.75 -16.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 83' ' ' GLY . 0.2 OUTLIER 178.75 26.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.499 ' CD ' ' CD2' ' A' ' 82' ' ' TYR . 0.1 OUTLIER 63.45 34.37 12.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 91' ' ' LEU . 13.1 mt -122.84 1.76 9.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 87' ' ' LEU . 1.1 t30 -38.09 -38.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -43.01 -40.68 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.522 ' O ' ' CG1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -123.38 -2.83 8.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.526 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.5 OUTLIER -84.69 -26.88 27.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 95' ' ' ILE . 17.1 p-10 -56.25 -45.05 80.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 t -88.82 -37.71 15.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.626 ' O ' ' HB ' ' A' ' 98' ' ' ILE . 61.2 mt -64.26 -28.94 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.796 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -82.27 -47.45 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.222 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' A' ' 100' ' ' SER . 79.9 mttt -60.72 -19.0 57.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.503 ' O ' ' CA ' ' A' ' 101' ' ' ILE . 2.3 mp0 -103.38 -49.39 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.626 ' HB ' ' O ' ' A' ' 94' ' ' ILE . 1.6 tp -79.97 -0.27 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.796 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -121.61 -39.92 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -112.7 -30.92 6.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.503 ' CA ' ' O ' ' A' ' 97' ' ' GLN . 0.2 OUTLIER 60.55 16.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER 79.79 6.71 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 110.08 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.487 HG12 ' CG2' ' A' ' 52' ' ' ILE . 15.7 t -100.8 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.28 -22.31 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -40.69 -31.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.391 1.057 . . . . 0.0 110.36 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.545 ' HB3' ' CB ' ' A' ' 109' ' ' LYS . 17.5 mm-40 66.79 5.29 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.75 -58.29 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 106' ' ' GLU . 2.0 tp10 -156.75 19.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.545 ' CB ' ' HB3' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -102.34 23.3 11.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -119.48 44.28 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.33 134.59 25.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 45.8 t -143.16 83.41 11.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 165.32 31.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.8 m -75.09 -78.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -78.28 -91.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 7' ' ' GLU . 43.3 p90 -121.52 -48.04 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.573 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.5 OUTLIER 49.89 -171.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.76 -77.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -131.4 27.19 4.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.563 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.585 ' CE1' ' HB ' ' A' ' 60' ' ' ILE . 15.9 m-70 -70.86 -31.29 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.588 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -85.06 48.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.485 ' N ' ' HB ' ' A' ' 15' ' ' ILE . 2.2 ptmm? 179.03 -65.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.917 ' CE2' ' CZ ' ' A' ' 51' ' ' PHE . 7.0 t90 -70.69 -55.84 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.536 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 26.8 t0 -74.47 -28.47 61.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.485 ' HB ' ' N ' ' A' ' 12' ' ' LYS . 1.6 tt -67.91 -34.85 69.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.07 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 20' ' ' SER . 1.9 tm? -80.54 -33.91 35.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.477 HD11 ' CB ' ' A' ' 21' ' ' THR . 6.9 tp -86.46 -3.4 59.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 6.3 tm-20 -116.4 -17.21 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' C ' ' CG2' ' A' ' 23' ' ' VAL . 2.1 mtpp -114.75 -9.44 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -122.26 -69.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.477 ' CB ' HD11 ' A' ' 17' ' ' LEU . 44.7 m -76.87 51.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.446 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.46 21.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.485 ' O ' ' HB3' ' A' ' 24' ' ' MET . 61.3 t -125.42 -43.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.531 ' CE ' ' O ' ' A' ' 24' ' ' MET . 1.1 ttp 71.69 5.58 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.2 mt-10 -113.49 -64.82 1.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.78 1.11 24.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.577 ' CE ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -119.42 -22.1 7.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.577 ' CB ' ' CE ' ' A' ' 27' ' ' MET . 1.3 tptt -121.98 -41.1 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' GLU . 84.0 t -92.44 63.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.636 ' O ' ' CB ' ' A' ' 31' ' ' SER . 1.4 p -128.65 -32.36 2.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 30' ' ' THR . 4.7 p 146.7 11.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 66.0 -71.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' SER . 12.6 pt-20 -48.86 -38.14 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' CG ' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -93.63 -21.56 19.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -66.7 -14.27 62.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -120.53 -37.4 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.91 -60.83 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.246 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.9 m -70.76 -14.88 62.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 1.9 m -93.12 -23.58 18.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.376 1.047 . . . . 0.0 110.387 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . -109.88 1.76 19.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.61 ' O ' ' C ' ' A' ' 42' ' ' ASP . 25.0 mt -121.97 -41.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -21.83 -74.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.677 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.9 OUTLIER -131.47 -9.19 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.594 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 3.6 mtt -72.24 -21.28 61.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.429 ' ND2' ' HA ' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -57.94 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.664 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.5 mm-40 -85.69 -26.45 25.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.677 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -65.58 -43.4 94.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.657 ' HA ' ' CD2' ' A' ' 51' ' ' PHE . 1.1 tp -70.73 -45.19 65.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -72.49 -20.85 61.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.664 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -81.46 -77.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.917 ' CZ ' ' CE2' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -40.18 -42.73 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.795 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -68.15 -46.77 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.54 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 13.0 tt0 -73.42 -2.87 24.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -119.35 -15.78 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.578 ' N ' ' O ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -126.16 -68.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.62 43.04 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.597 ' CG ' ' HA ' ' A' ' 62' ' ' GLU . 1.3 tp10 -88.27 -24.16 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.233 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 2.3 m 91.08 -14.69 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.631 ' O ' ' CE2' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -151.18 -72.54 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 10' ' ' HIS . 0.2 OUTLIER 172.92 -65.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.77 -71.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.597 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 3.2 pt-20 173.26 159.21 0.28 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 42.91 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.426 1.751 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.521 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 45.9 tp -87.21 -17.75 31.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER 88.34 20.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 7.3 pt20 -107.2 -31.35 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.458 ' N ' ' HG3' ' A' ' 66' ' ' GLN . 1.0 OUTLIER -127.38 -27.45 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.219 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.578 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -66.1 -34.2 77.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -87.79 -21.34 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -69.18 -40.24 78.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.44 HG23 ' CD2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -88.07 -38.69 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.19 -31.38 70.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -69.27 -24.0 63.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt -71.33 -57.28 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.462 ' HG3' ' N ' ' A' ' 76' ' ' LYS . 4.3 ptm -66.46 -37.69 85.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -68.95 -52.08 32.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.565 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 32.4 tt0 -54.44 -26.62 31.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -70.53 -77.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.651 ' HA ' ' CA ' ' A' ' 83' ' ' GLY . 0.3 OUTLIER -59.55 -7.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 3.8 t0 -80.05 -53.21 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 mmt -76.51 -29.78 56.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 178.14 -30.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.19 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.651 ' CA ' ' HA ' ' A' ' 79' ' ' ARG . . . 92.0 -4.18 77.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 8.7 pt20 -37.48 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.243 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 83' ' ' GLY . 0.4 OUTLIER -49.5 -80.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.298 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.585 ' C ' ' CB ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -147.83 -0.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.377 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.593 ' O ' ' HA3' ' A' ' 83' ' ' GLY . 0.3 OUTLIER -133.63 61.74 1.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.751 HD21 ' N ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -110.78 -113.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.751 ' N ' HD21 ' A' ' 88' ' ' ASN . 1.5 tt0 -74.33 -77.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.23 -20.78 33.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.585 ' CB ' ' C ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -74.59 -35.76 62.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 3.0 t30 -55.17 -38.26 68.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.429 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . 50.7 m -72.11 -41.93 66.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 36' ' ' GLN . 42.6 mm -66.3 -37.36 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 8.5 mm -82.1 -29.72 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 100' ' ' SER . 2.1 ttpp -62.04 -34.03 75.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.626 1.204 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.427 ' O ' ' HB ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -83.38 -45.76 13.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.441 ' CG2' ' HA ' ' A' ' 95' ' ' ILE . 3.5 tp -70.98 -14.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -102.83 -29.86 11.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.1 t -87.11 -10.36 53.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.627 ' O ' ' CB ' ' A' ' 102' ' ' SER . 6.1 tp -65.67 -6.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 3.4 m 97.18 51.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 110.023 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.602 ' CG1' ' CG2' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -125.15 -39.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.489 ' CB ' ' CD1' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -123.6 -37.73 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.053 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -16.51 63.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -125.98 13.98 7.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.72 -9.45 32.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -171.99 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.235 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.21 -82.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.23 46.97 1.04 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 44.02 -158.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.9 p -94.27 140.65 22.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 100.69 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.551 1.816 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HB2' ' CB ' ' A' ' 11' ' ' ARG . 9.5 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m -98.4 -7.46 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -105.22 -77.51 0.58 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 7' ' ' GLU . 43.3 t80 -120.18 -64.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 6' ' ' PHE . 10.6 mm-40 -43.65 168.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -120.86 -75.58 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 12' ' ' LYS . 1.2 p-80 -98.42 -23.02 15.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.542 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.586 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 34.6 m-70 -56.53 -26.67 55.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.553 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.435 ' CB ' ' HB2' ' A' ' 3' ' ' CYS . 34.4 mtp180 -117.26 12.39 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 9' ' ' HIS . 20.4 tptt -95.24 -46.17 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.674 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -53.28 -37.76 62.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 108.019 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -75.04 -25.63 58.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.86 -34.3 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 20' ' ' SER . 2.8 tm? -77.47 -30.07 53.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.547 HD13 HG22 ' A' ' 71' ' ' THR . 0.8 OUTLIER -89.84 -16.29 30.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.538 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 3.0 tm-20 -97.4 -16.97 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.709 ' O ' HG22 ' A' ' 23' ' ' VAL . 35.2 mttt -103.61 -36.18 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 38.1 t -64.0 -63.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.658 HG21 ' NE2' ' A' ' 84' ' ' GLN . 3.7 p -121.96 40.11 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 18' ' ' GLU . . . -128.55 -1.9 5.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.853 HG21 ' HB3' ' A' ' 26' ' ' ALA . 12.2 m -125.09 -43.97 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 24' ' ' MET . 4.0 ttp 77.86 30.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.66 ' O ' HG12 ' A' ' 29' ' ' VAL . 0.0 OUTLIER 172.71 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.853 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -57.26 -16.52 8.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -166.27 22.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.518 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -120.99 -9.28 9.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.732 ' O ' HG13 ' A' ' 29' ' ' VAL . 4.5 p -120.99 54.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.367 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.663 ' O ' ' CB ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -107.25 -0.85 22.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 30' ' ' THR . 3.8 t 144.94 -14.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.515 ' CG ' HD13 ' A' ' 87' ' ' LEU . 0.5 OUTLIER 81.84 -69.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.244 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 7.1 mt-10 -69.84 -34.47 73.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -91.77 -22.1 20.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.619 ' O ' ' CG2' ' A' ' 39' ' ' THR . 6.7 tm-20 -78.29 -15.66 58.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.802 ' HG3' HG21 ' A' ' 94' ' ' ILE . 6.1 tp60 -107.11 -36.96 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 11.7 tp -79.58 -57.67 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 1.8 m -55.11 -30.98 60.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.619 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 44.0 p -88.03 -21.87 24.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -82.76 -12.37 57.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -121.78 -31.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 38' ' ' SER . 2.6 m-20 -39.02 -71.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.09 -30.88 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.709 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.5 mmt -59.04 -24.05 62.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.605 1.191 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 7.5 t-20 -58.87 -87.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.552 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.1 tp10 -82.12 -23.52 35.62 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 1.092 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.634 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -65.96 -41.62 95.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.738 HD12 ' C ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.82 -50.63 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 0.735 . . . . 0.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.512 ' C ' HG22 ' A' ' 52' ' ' ILE . 2.4 t0 -58.31 -33.85 69.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -80.28 -70.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.674 ' CD2' ' HB2' ' A' ' 13' ' ' TRP . 2.2 t80 -44.13 -39.53 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.62 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -64.79 -44.59 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -69.84 -9.25 54.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.68 -27.21 10.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.408 1.067 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.652 ' CE2' ' CB ' ' A' ' 61' ' ' ASP . 5.9 m-85 -120.93 -64.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 47.2 t-20 63.07 30.4 16.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.584 ' O ' ' CB ' ' A' ' 58' ' ' SER . 18.6 tp10 -129.64 -9.7 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 110.292 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.612 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.7 t 92.38 18.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.612 ' CB ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 95.77 55.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.583 ' CD1' ' C ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -85.07 -54.3 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.652 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . 1.4 t70 -35.82 -43.0 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.36 118.28 48.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 95.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -125.5 -70.08 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -140.25 -37.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.74 ' O ' ' HB3' ' A' ' 67' ' ' LEU . 3.6 tt0 176.56 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.142 HD22 ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER 161.77 -44.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 1.142 ' N ' HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -62.58 -64.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.589 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 99.3 m-20 -70.12 -29.48 66.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -48.97 -37.6 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.547 HG22 HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -122.43 -53.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.835 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . -46.24 -42.11 13.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.248 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.589 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.7 tt0 -58.79 -27.07 64.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -78.71 -55.21 5.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.51 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -70.63 -14.97 62.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 20.5 tttt -83.58 -52.12 6.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -58.95 -36.09 74.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.556 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -76.79 -52.66 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.645 ' HA ' ' C ' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -68.91 -3.53 13.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 10.0 t70 -113.88 -19.67 11.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 77' ' ' GLN . 1.3 tpp -98.55 -47.16 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.487 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 0.2 OUTLIER -129.74 -45.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.645 ' C ' ' HA ' ' A' ' 79' ' ' ARG . . . 157.0 -22.91 0.46 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.91 ' HB3' HD13 ' A' ' 91' ' ' LEU . 26.4 tp60 154.52 -30.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.777 . . . . 0.0 110.272 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.976 ' HB3' HD11 ' A' ' 91' ' ' LEU . 6.4 tm-20 -170.44 23.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.248 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 73.54 18.16 3.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.613 ' H ' HD12 ' A' ' 91' ' ' LEU . 12.0 tp -125.12 10.89 8.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.603 1.189 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.538 ' HB3' ' HA3' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -30.43 -44.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -39.45 -45.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -114.41 -15.53 12.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.976 HD11 ' HB3' ' A' ' 85' ' ' GLU . 2.2 mt -64.5 -45.47 87.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 96' ' ' LYS . 1.7 t30 -36.63 -34.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.22 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 91' ' ' LEU . 21.4 m -89.71 -37.97 14.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.802 HG21 ' HG3' ' A' ' 36' ' ' GLN . 2.0 mm -66.05 -41.32 89.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.911 HG22 ' O ' ' A' ' 91' ' ' LEU . 0.7 OUTLIER -77.21 -41.23 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.626 ' O ' ' CB ' ' A' ' 100' ' ' SER . 14.1 tttt -64.05 -26.94 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.82 ' O ' HD13 ' A' ' 101' ' ' ILE . 9.9 mm100 -84.17 -43.58 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.521 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 1.4 mp -81.86 0.86 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.534 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 2.2 tp -118.77 -23.35 7.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.626 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 23.3 t -99.02 -12.53 20.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.82 HD13 ' O ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -65.8 -6.82 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.616 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 3.4 m 95.16 39.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.569 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -111.86 -31.94 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.25 -52.62 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 106' ' ' GLU . 2.3 tt0 171.23 31.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.519 ' C ' ' O ' ' A' ' 105' ' ' GLU . 3.3 tp10 29.26 40.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 105' ' ' GLU . . . -102.45 53.51 0.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER 63.84 35.15 11.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 0.722 . . . . 0.0 110.263 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 1.7 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.562 ' CB ' ' HB3' ' A' ' 11' ' ' ARG . 35.5 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.5 m -68.62 -40.42 80.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' A' ' 6' ' ' PHE . 2.6 t80 -89.93 -90.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 1.065 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.518 ' N ' ' CG ' ' A' ' 5' ' ' PHE . 28.9 t80 -119.13 -67.75 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 1.2 mm-40 47.28 -174.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.097 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -111.8 -35.8 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.644 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 0.7 OUTLIER 158.61 -23.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.546 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 54' ' ' LEU . 4.9 m-70 -44.09 -34.31 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.385 1.053 . . . . 0.0 109.579 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -88.26 -26.38 22.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.355 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 9' ' ' HIS . 0.1 OUTLIER -46.78 -40.58 13.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.238 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.618 ' CH2' HD13 ' A' ' 52' ' ' ILE . 8.9 t90 -49.25 -36.21 19.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.006 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.606 ' OD1' HD22 ' A' ' 67' ' ' LEU . 16.3 m-20 -76.86 -26.55 54.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -63.45 -34.32 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.632 ' O ' HD13 ' A' ' 16' ' ' LEU . 2.6 tm? -85.76 -34.72 21.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.707 HD23 ' HB ' ' A' ' 71' ' ' THR . 1.1 tp -77.26 -7.36 55.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 23' ' ' VAL . 3.4 mt-10 -118.28 -21.23 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -96.83 -10.59 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 17.0 m -121.34 -41.75 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.837 HG22 ' O ' ' A' ' 21' ' ' THR . 1.1 m -123.88 44.92 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 18' ' ' GLU . . . -170.85 23.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.754 HG11 ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -124.92 -52.04 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 3.5 ttp 82.32 31.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.814 ' HA ' HG12 ' A' ' 29' ' ' VAL . 1.5 mt-10 163.8 -42.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB3' HG11 ' A' ' 23' ' ' VAL . . . -53.66 -24.75 15.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.448 1.092 . . . . 0.0 109.233 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.473 ' CE ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER 171.09 33.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.602 1.189 . . . . 0.0 110.952 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 84' ' ' GLN . 21.6 ttmt -118.59 -11.77 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.814 HG12 ' HA ' ' A' ' 25' ' ' GLU . 5.5 p -145.75 61.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.7 m -79.29 -60.13 2.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 110.338 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -156.94 22.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' HG2' HD13 ' A' ' 87' ' ' LEU . 3.8 mt-10 68.04 -63.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 3.3 tt0 -67.67 -35.76 79.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 38' ' ' SER . 1.1 mptt -90.36 -28.58 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.5 OUTLIER -72.04 -15.15 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.988 ' HB3' HG21 ' A' ' 94' ' ' ILE . 73.0 mt-30 -107.24 -39.36 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 15.6 tp -87.43 -61.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -53.46 -26.33 19.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.023 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -91.11 -26.04 19.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 0.0 110.428 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -85.24 -7.86 58.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.524 ' O ' ' C ' ' A' ' 42' ' ' ASP . 1.1 pt -123.67 -32.58 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -30.15 -73.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.615 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -116.88 -19.33 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.787 ' O ' HD22 ' A' ' 48' ' ' LEU . 8.6 mmt -60.98 -18.72 59.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.03 -86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.35 -12.41 59.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.657 ' O ' ' CG ' ' A' ' 51' ' ' PHE . . . -76.79 -47.69 9.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.09 HD23 ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -69.25 -35.64 76.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 1.09 ' N ' HD23 ' A' ' 48' ' ' LEU . 40.1 t0 -69.37 -40.73 77.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' ' 54' ' ' LEU . . . -79.75 -65.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.657 ' CG ' ' O ' ' A' ' 47' ' ' GLY . 21.5 m-30 -39.85 -53.46 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.618 HD13 ' CH2' ' A' ' 13' ' ' TRP . 2.0 mm -63.67 -41.37 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 30.5 tt0 -63.92 -12.2 35.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -111.77 -29.47 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.721 ' OH ' HD13 ' A' ' 67' ' ' LEU . 2.4 m-85 -93.18 -72.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.714 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 10.4 t30 134.12 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER 157.75 43.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 13.3 p 74.62 62.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -177.97 60.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -63.47 -48.66 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.363 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.6 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 2.4 t0 -118.85 -69.44 0.85 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 152.35 62.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.598 ' HD3' ' H ' ' A' ' 62' ' ' GLU . 18.2 Cg_endo -74.99 -64.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.443 1.759 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.618 ' O ' ' CB ' ' A' ' 65' ' ' ILE . 2.4 tp 90.12 39.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.618 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER 154.99 -23.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.657 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -81.27 -28.93 34.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.721 HD13 ' OH ' ' A' ' 55' ' ' TYR . 60.2 mt -156.68 -41.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.736 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 1.8 t0 -61.18 -53.44 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -95.69 -15.4 22.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 2.5 t0 -73.4 -23.27 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.707 ' HB ' HD23 ' A' ' 17' ' ' LEU . 30.1 p -114.21 -39.91 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.359 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . -77.38 -49.19 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -73.96 -24.51 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.33 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.656 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -77.53 -56.59 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -62.04 -29.51 70.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 77.1 mttt -73.16 -67.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 81' ' ' MET . 11.3 mm100 -58.87 -14.89 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -78.91 -67.53 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 79' ' ' ARG . 8.5 ttp-105 -73.84 3.52 6.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 6.8 t70 -106.93 -34.65 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.441 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 24.7 mmm -107.37 -64.1 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.584 ' CE1' ' HG2' ' A' ' 86' ' ' LYS . 0.2 OUTLIER 167.41 40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.951 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.487 ' O ' ' CE ' ' A' ' 28' ' ' LYS . . . -97.88 -34.8 5.32 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.62 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 4.4 mt-30 -80.28 -48.88 12.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.779 . . . . 0.0 110.368 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.679 ' HG3' HD11 ' A' ' 87' ' ' LEU . 4.6 tp10 170.55 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 88.08 28.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.679 HD11 ' HG3' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -118.42 39.76 3.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER -40.43 -28.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' LEU . 4.4 mt-10 -49.64 -38.44 32.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 94' ' ' ILE . 17.8 mttp -117.44 -26.23 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -72.43 -21.76 61.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 96' ' ' LYS . 27.6 t30 -70.71 -29.42 65.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.512 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 10.0 p -85.57 -36.93 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.34 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.988 HG21 ' HB3' ' A' ' 36' ' ' GLN . 1.1 pp -71.45 -40.71 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 91' ' ' LEU . 7.2 tp -75.06 -46.39 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.609 ' O ' ' CB ' ' A' ' 100' ' ' SER . 4.6 tttt -65.78 -24.9 67.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 93' ' ' THR . 33.4 tt0 -79.02 -40.49 31.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.415 1.072 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.675 HG23 HD12 ' A' ' 48' ' ' LEU . 1.6 mp -79.29 -9.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.503 HD12 HG22 ' A' ' 98' ' ' ILE . 8.3 mp -110.88 -17.93 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 23.2 t -105.81 -7.63 18.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.929 HG22 HG13 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -63.17 -5.07 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.7 t 96.6 26.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.929 HG13 HG22 ' A' ' 101' ' ' ILE . 13.7 m -116.37 -27.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.487 ' CB ' ' HG ' ' A' ' 99' ' ' LEU . 4.8 t -117.33 -35.83 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -60.76 -25.63 66.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -76.54 -13.16 60.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.62 55.12 2.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 66.71 37.23 4.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.777 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.47 ' HB2' ' CG1' ' A' ' 15' ' ' ILE . 24.9 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 p -81.05 -97.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -115.48 -39.69 3.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -48.4 -67.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -102.68 -154.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.59 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.8 OUTLIER -114.83 -43.46 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.59 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 155.11 -19.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.661 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.483 ' N ' ' CD2' ' A' ' 10' ' ' HIS . 0.0 OUTLIER 66.48 45.95 2.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.625 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.596 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 4.2 tpt180 74.33 27.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.593 1.183 . . . . 0.0 110.251 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.441 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 16.9 mttt 68.39 32.57 4.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.374 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.691 ' CZ3' ' CD1' ' A' ' 52' ' ' ILE . 5.4 t90 -74.09 -59.08 2.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 108.024 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' ND1' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -69.79 -33.09 71.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.542 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 9.1 mt -67.02 -35.01 73.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.515 ' HG ' ' CE ' ' A' ' 44' ' ' MET . 3.1 tm? -86.27 -28.28 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.592 HD13 HG22 ' A' ' 71' ' ' THR . 0.4 OUTLIER -83.38 -8.36 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -114.8 -21.99 9.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 15' ' ' ILE . 9.4 mmmt -92.17 -46.54 7.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.489 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 54.4 m -90.06 -63.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 17' ' ' LEU . 2.5 p -83.66 34.45 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.9 16.66 1.39 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.928 HG11 ' HB2' ' A' ' 27' ' ' MET . 0.0 OUTLIER -113.1 -39.3 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.63 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER 82.35 41.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.63 ' CB ' ' O ' ' A' ' 24' ' ' MET . 16.0 tt0 97.47 -7.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.635 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -75.66 -18.11 59.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.928 ' HB2' HG11 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -160.84 19.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.576 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 1.1 ttpm? -116.18 -16.46 10.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.9 p -91.1 52.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 m -56.17 -54.36 46.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 0.0 110.445 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -177.9 33.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' CA ' ' HB3' ' A' ' 35' ' ' GLU . 1.3 mp0 62.88 -74.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -57.46 -36.38 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -93.84 -24.59 17.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.576 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 1.8 tt0 -60.7 -24.69 65.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.704 ' HB2' HG21 ' A' ' 94' ' ' ILE . 7.0 pt20 -114.37 -33.96 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.568 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 57.2 tp -70.87 -71.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 3.2 m -60.49 -17.97 48.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 3.1 m -90.38 -14.71 32.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.754 ' O ' HD12 ' A' ' 41' ' ' ILE . . . -123.08 3.25 9.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 40' ' ' ALA . 1.6 mp -122.22 -44.37 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.632 ' C ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t0 -20.03 -71.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.571 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 19.7 mtt85 -135.34 -5.75 2.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.608 1.192 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.756 ' CG ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -76.76 -18.94 58.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.754 ' HA ' HD11 ' A' ' 98' ' ' ILE . 6.0 t-20 -50.32 -90.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -87.91 -15.68 35.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.625 ' O ' ' HB2' ' A' ' 51' ' ' PHE . . . -72.02 -40.61 56.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.756 HD13 ' CG ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -80.75 -55.21 4.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 47.9 t0 -48.28 -37.43 16.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -76.99 -74.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.374 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.625 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 8.3 m-85 -45.7 -55.6 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.919 HG23 ' CA ' ' A' ' 57' ' ' GLU . 35.8 mm -52.93 -43.56 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 18.2 tt0 -63.84 -11.44 27.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.93 -13.02 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.376 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -98.98 -73.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.62 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER 164.16 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.218 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.919 ' CA ' HG23 ' A' ' 52' ' ' ILE . 1.6 pt-20 96.13 -6.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.274 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.603 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 28.3 m -125.26 -15.14 6.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.603 ' CB ' ' O ' ' A' ' 58' ' ' SER . 1.3 tp10 94.35 77.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.407 1.067 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' A' ' 68' ' ' ASP . 4.7 mm -136.33 15.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.402 ' HB2' ' HA ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -103.3 -36.28 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.676 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -91.5 -57.63 0.24 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.676 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.3 Cg_endo -74.97 -75.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.596 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 1.2 tp 96.32 -6.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.55 HG22 ' C ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER 165.87 42.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.608 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -172.4 54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER 155.81 -12.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.648 ' HB2' HD11 ' A' ' 60' ' ' ILE . 33.7 t0 -61.81 -51.19 69.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -87.26 -20.66 26.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -17.58 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.592 HG22 HD13 ' A' ' 17' ' ' LEU . 14.2 m -115.91 -41.75 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -65.65 -39.1 91.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 28.3 tt0 -67.82 -20.12 65.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 9.3 mt -78.63 -55.67 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.477 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 2.5 ptm -74.37 -21.23 59.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 72' ' ' ALA . 3.3 ttmt -85.66 -63.85 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 18.9 tt0 -54.76 -27.34 40.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.654 ' HA ' ' CE1' ' A' ' 82' ' ' TYR . . . -83.71 -56.21 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.646 ' HD3' HG21 ' A' ' 95' ' ' ILE . 11.2 ttp180 -71.09 2.33 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 61.3 t0 -115.27 -37.97 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.647 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 4.7 tpt -68.84 -59.28 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.593 1.183 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.654 ' CE1' ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -123.17 -24.39 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.06 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.753 ' O ' HD23 ' A' ' 91' ' ' LEU . . . 111.23 39.87 1.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.555 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 8.2 tt0 83.45 7.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.676 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 168.71 -49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.676 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 8.9 tttt 148.95 28.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.623 ' HB2' HD13 ' A' ' 91' ' ' LEU . 7.9 mt -130.94 26.39 4.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.373 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 8.3 p30 -39.39 -29.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -52.81 -37.65 60.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' LEU . 65.5 mttt -116.68 -28.98 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 83' ' ' GLY . 2.2 mp -70.64 -49.05 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 41.5 t-20 -52.72 -29.21 25.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -85.87 -29.68 23.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 36' ' ' GLN . 2.3 tp -71.41 -37.63 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.646 HG21 ' HD3' ' A' ' 79' ' ' ARG . 9.5 mm -83.37 -38.3 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 100' ' ' SER . 75.8 tttt -71.2 -23.54 62.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 93' ' ' THR . 14.7 tt0 -85.07 -42.85 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.754 HD11 ' HA ' ' A' ' 45' ' ' ASN . 2.4 tp -68.8 -19.97 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.632 HD12 HG23 ' A' ' 98' ' ' ILE . 4.2 mp -100.46 -27.26 13.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 31.3 t -84.93 -13.76 49.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 110.045 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.613 ' O ' ' CB ' ' A' ' 102' ' ' SER . 4.3 tp -62.76 -11.35 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.1 m 149.02 38.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.629 HG11 HG21 ' A' ' 52' ' ' ILE . 1.4 t -146.83 8.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.57 ' O ' ' C ' ' A' ' 105' ' ' GLU . 16.2 m -116.16 -47.82 2.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.605 ' O ' ' N ' ' A' ' 107' ' ' GLY . 6.4 tp10 -24.08 -52.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 105' ' ' GLU . 1.2 tm-20 29.33 36.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 105' ' ' GLU . . . 65.45 -54.44 0.13 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 6.4 mt-10 -94.84 -19.47 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' ' CD1' ' A' ' 15' ' ' ILE . 48.4 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -54.57 -66.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.94 -72.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.69 -64.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 50.02 -172.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.24 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.576 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -116.21 -75.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.62 ' CD2' ' CG ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -40.72 -28.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.64 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.447 ' N ' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.02 -22.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 6.5 tpt180 -39.89 -28.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 8.6 mttt 159.16 -20.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 1.023 ' CZ3' ' CE1' ' A' ' 51' ' ' PHE . 1.1 t90 -69.13 -47.67 64.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 108.001 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.62 ' CG ' ' CD2' ' A' ' 9' ' ' HIS . 6.0 t0 -69.65 -30.42 68.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 11.9 mm -72.86 -40.44 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.607 ' HG ' ' CB ' ' A' ' 43' ' ' ARG . 1.3 tm? -75.24 -33.29 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.391 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.857 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -80.45 -18.32 49.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 5.2 mm-40 -96.69 -13.77 22.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.242 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.933 ' O ' HG22 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -104.55 -68.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.482 ' N ' ' SD ' ' A' ' 27' ' ' MET . 38.7 m -51.85 -89.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.744 HG21 ' OE1' ' A' ' 84' ' ' GLN . 1.6 p -69.48 0.74 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.444 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' HA3' ' C ' ' A' ' 18' ' ' GLU . . . -77.84 -15.67 80.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.617 1.198 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.933 HG22 ' O ' ' A' ' 19' ' ' LYS . 3.4 m -127.85 -50.31 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 0.798 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.511 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 3.4 ttp 81.85 22.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 177.66 -40.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.841 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -54.1 -20.43 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 20' ' ' SER . 6.2 ptm -162.24 10.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HE2' HG23 ' A' ' 21' ' ' THR . 2.2 tptp -92.76 -11.44 33.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.0 p -101.89 33.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -80.65 54.27 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.3 OUTLIER 79.93 -5.66 1.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER 74.35 -54.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.549 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 15.5 mt-10 -57.71 -41.2 81.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.66 -21.24 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.682 ' OE2' HD11 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -66.6 -17.32 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.697 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.4 pt20 -120.92 -32.08 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 33' ' ' GLU . 81.1 mt -74.6 -66.95 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.563 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.7 m -66.26 -14.44 61.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -95.04 -14.75 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -121.66 6.44 9.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.564 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -131.18 -44.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' A' ' 38' ' ' SER . 4.7 t0 -78.01 2.61 17.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.632 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 5.5 mpt_? -132.64 -41.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.986 ' HB2' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -64.86 -27.75 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 41' ' ' ILE . 4.2 m-80 -43.74 -87.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 3.0 mt-10 -93.35 -15.42 25.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.632 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -72.14 -38.04 59.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.986 HD22 ' HB2' ' A' ' 44' ' ' MET . 3.3 mp -87.02 -50.6 6.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' O ' HD12 ' A' ' 52' ' ' ILE . 50.0 m-20 -53.37 -50.48 65.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 46' ' ' GLU . . . -70.42 -38.47 74.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 1.023 ' CE1' ' CZ3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -44.49 -47.41 10.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 111.063 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.729 HG13 ' CD2' ' A' ' 51' ' ' PHE . 0.5 OUTLIER -70.2 -45.56 75.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' C ' HD22 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.73 -2.09 18.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' ALA . 4.3 mm? -122.87 -14.83 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.689 ' CZ ' ' HA ' ' A' ' 58' ' ' SER . 0.6 OUTLIER -124.76 -72.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 8.9 m-20 147.35 -50.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.9 pt-20 164.19 39.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.689 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . 6.7 p 52.61 69.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.674 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 1.0 OUTLIER -168.91 47.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.748 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER 151.36 25.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.682 ' N ' ' CE1' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -31.8 -37.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.6 OUTLIER -177.71 -55.85 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.4 Cg_endo -75.03 -89.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 63' ' ' PRO . 0.3 OUTLIER 169.45 -42.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.3 tt -139.09 13.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.934 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -110.22 -9.19 14.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.934 HD22 ' O ' ' A' ' 66' ' ' GLN . 2.7 mm? -139.98 -38.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.452 ' CG ' ' HA ' ' A' ' 59' ' ' GLU . 4.4 t0 -61.32 -57.27 13.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -83.48 -12.84 55.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.375 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.406 ' HB2' ' C ' ' A' ' 66' ' ' GLN . 2.0 t0 -76.58 -29.13 56.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.3 m -98.86 -36.66 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.09 79.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 47.4 mt-10 -73.91 -21.23 60.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 110.285 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.434 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -75.03 -51.22 14.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.37 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.497 ' CE ' ' HB2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -72.22 -26.34 62.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -83.13 -59.62 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.562 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 7.0 tm0? -49.9 -42.08 47.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.615 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -72.79 -48.64 36.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -62.33 -7.87 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 64.0 t0 -112.72 -26.85 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.558 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 8.6 ptm -70.94 -27.6 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.605 ' CD1' ' HA ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 174.67 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.465 ' HA2' ' HA ' ' A' ' 79' ' ' ARG . . . 122.76 74.7 0.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.435 1.085 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.744 ' OE1' HG21 ' A' ' 21' ' ' THR . 0.9 OUTLIER 54.51 14.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.1 tt0 154.2 -52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER 154.56 41.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.998 ' HB3' HD12 ' A' ' 91' ' ' LEU . 15.6 tp -127.26 10.34 6.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.567 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -37.45 -32.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' LEU . 2.2 tt0 -46.79 -40.92 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.632 ' HB2' HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -123.08 -18.15 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.998 HD12 ' HB3' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -80.84 -27.99 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 54.3 t30 -64.37 -37.16 86.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -82.08 -37.83 25.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.494 HD13 ' NE2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -68.77 -39.88 80.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 91' ' ' LEU . 2.3 pp -71.49 -42.41 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 100' ' ' SER . 56.2 tttm -63.79 -29.08 70.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.99 ' O ' HG23 ' A' ' 101' ' ' ILE . 0.2 OUTLIER -83.21 -44.01 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.909 HG23 HD21 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -70.35 -12.81 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 95' ' ' ILE . 12.8 mt -109.23 -17.18 13.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 44.5 t -101.54 -9.32 21.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.99 HG23 ' O ' ' A' ' 97' ' ' GLN . 7.7 pt -63.04 -8.36 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.3 t 95.42 33.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.862 HG21 HD23 ' A' ' 48' ' ' LEU . 28.1 m -116.37 -35.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.1 t -114.61 -32.01 6.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 109' ' ' LYS . 32.1 mt-10 -79.38 -2.71 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.177 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -13.39 30.18 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 108' ' ' GLU . . . -83.54 49.46 4.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.578 1.173 . . . . 0.0 110.952 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 4.1 tt0 81.19 44.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 105' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' CG2' ' A' ' 15' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -70.45 -53.86 14.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -49.64 -65.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' PHE . 2.0 t80 -36.27 -61.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 177.77 -72.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' C ' ' CG ' ' A' ' 9' ' ' HIS . 39.6 mttm -120.57 -93.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.45 ' CG ' ' HG2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER 178.77 35.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 0.0 109.607 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 4.7 m80 47.65 49.06 16.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.578 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 6.3 mmt180 68.64 20.31 8.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.526 ' HA ' ' CG1' ' A' ' 15' ' ' ILE . 25.6 mttt 69.25 41.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.671 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -87.27 -53.43 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.097 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 17.3 t70 -69.98 -25.58 63.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.697 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -81.42 -42.16 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 20' ' ' SER . 1.9 tm? -62.66 -30.54 71.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.558 HD21 ' HB3' ' A' ' 75' ' ' MET . 4.9 tp -96.51 -20.71 18.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.572 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 9.7 tt0 -122.27 35.52 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.697 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -162.03 -35.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.739 ' HB3' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -96.1 -34.38 11.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 17' ' ' LEU . 14.5 p -122.58 62.49 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.48 32.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.159 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.605 ' CG2' ' HA ' ' A' ' 19' ' ' LYS . 37.9 t -124.1 -85.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.737 . . . . 0.0 109.338 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.642 ' SD ' ' HB2' ' A' ' 26' ' ' ALA . 4.0 ptm -128.38 -11.77 5.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.943 ' O ' HG12 ' A' ' 29' ' ' VAL . 1.4 mt-10 95.12 2.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.354 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.642 ' HB2' ' SD ' ' A' ' 24' ' ' MET . . . -60.76 -18.4 54.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.425 ' CE ' ' HB3' ' A' ' 26' ' ' ALA . 1.7 mpp? -123.0 -11.19 8.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.57 ' CG ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -98.71 -15.8 19.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.943 HG12 ' O ' ' A' ' 25' ' ' GLU . 1.5 p -119.35 27.98 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.6 m -59.01 85.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER 49.17 20.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.519 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 12.5 mt-10 64.82 -66.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 110.323 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.1 mt-10 -47.3 -42.76 21.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -93.18 -19.26 21.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.859 ' OE2' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -60.14 -24.85 65.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.873 ' HB2' HG21 ' A' ' 94' ' ' ILE . 2.8 pp0? -119.64 -34.01 3.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.821 ' HG ' HD12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -69.21 -62.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 18.0 m -71.29 -16.85 62.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 2.1 m -91.82 -13.08 32.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -120.1 2.64 10.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.821 HD12 ' HG ' ' A' ' 37' ' ' LEU . 60.1 mt -122.26 -40.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -22.44 -72.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.593 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 11.1 mmt180 -128.29 -6.94 5.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.661 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 10.7 mtt -68.27 -17.65 64.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 9.8 t30 -58.24 -91.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -80.87 -17.09 51.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.649 ' O ' ' CG ' ' A' ' 51' ' ' PHE . . . -74.68 -43.63 28.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.672 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -64.69 -41.0 96.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.346 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.483 ' O ' HG22 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -63.68 -41.65 98.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.353 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -81.87 -71.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.671 ' HB3' ' CE3' ' A' ' 13' ' ' TRP . 22.1 m-85 -34.45 -43.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.672 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -64.59 -49.47 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 50' ' ' ALA . 4.1 tt0 -68.85 -6.63 28.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.6 -33.65 8.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.629 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 77.9 m-85 -121.79 -64.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.629 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 7.7 t30 145.24 -13.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.663 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 3.1 tp10 75.48 23.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.493 ' OG ' ' HB2' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -132.21 -32.02 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.643 ' C ' HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -112.08 -50.05 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.262 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.793 ' N ' HD12 ' A' ' 60' ' ' ILE . 1.8 mp 73.0 2.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.718 ' OD1' HD13 ' A' ' 67' ' ' LEU . 10.4 t70 -97.21 -62.07 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.582 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER 153.58 -59.48 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.743 ' O ' HD23 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 63' ' ' PRO . 0.2 OUTLIER 93.04 35.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.7 mm -113.66 -12.74 11.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.882 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -154.45 56.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.882 HD12 ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER 173.65 -20.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.198 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.597 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 30.1 t0 -60.42 -56.32 22.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 1.1 t70 -83.97 -20.78 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.44 ' CB ' ' HA ' ' A' ' 67' ' ' LEU . 1.2 t0 -68.55 -26.24 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 m -112.36 -48.32 3.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.597 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -55.01 -44.64 74.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -66.4 -16.19 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -55.41 5.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.558 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -77.26 -22.11 52.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 5.4 mmtp -82.7 -59.96 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.577 ' O ' ' CG ' ' A' ' 81' ' ' MET . 31.7 tt0 -54.67 -39.92 68.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.714 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -69.67 -58.99 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -67.56 -0.79 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 12.1 t0 -104.22 -40.72 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.577 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -58.27 -53.45 58.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -150.51 -5.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 111.008 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 84' ' ' GLN . . . 111.81 37.51 1.55 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.714 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 92.83 -34.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 110.287 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.524 ' CB ' ' HD2' ' A' ' 28' ' ' LYS . 8.5 tp10 -174.22 26.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.592 ' CG ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 79.21 36.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.859 HD22 ' OE2' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -122.77 6.03 9.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.571 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 6.5 t30 -41.74 -28.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -49.29 -39.05 29.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -123.11 -20.65 5.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.832 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -78.16 -28.85 48.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 55.4 t30 -68.89 -37.72 79.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 3.0 m -78.71 -35.55 44.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.873 HG21 ' HB2' ' A' ' 36' ' ' GLN . 25.8 mm -75.01 -36.78 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 91' ' ' LEU . 15.2 tt -74.9 -48.31 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.599 ' O ' ' CB ' ' A' ' 100' ' ' SER . 2.6 tttt -66.16 -26.13 67.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 93' ' ' THR . 15.1 tt0 -78.44 -42.81 28.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.469 HG21 ' SD ' ' A' ' 44' ' ' MET . 1.1 tp -73.62 -10.89 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.551 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -111.95 -12.72 13.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 70.7 m -110.96 -7.42 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.698 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.4 tp -61.21 -29.12 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 4.3 m 138.95 41.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.059 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.592 HG11 HD12 ' A' ' 48' ' ' LEU . 6.7 m -124.26 -46.36 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 99' ' ' LEU . 1.4 t -80.67 21.27 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 103' ' ' VAL . 0.3 OUTLIER 73.89 35.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 108' ' ' GLU . 1.4 tt0 -40.62 -34.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.28 -21.44 1.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 2.4 mt-10 -114.13 -72.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.623 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.508 ' HB3' ' CB ' ' A' ' 12' ' ' LYS . 3.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.6 m -82.89 -78.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -92.51 -0.01 57.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.53 ' CD2' ' HD2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -79.48 -43.95 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.436 ' CG ' ' C ' ' A' ' 6' ' ' PHE . 2.2 pt-20 41.0 80.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.53 ' HD2' ' CD2' ' A' ' 6' ' ' PHE . 4.9 mtpt -122.2 -70.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 49.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.611 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.584 ' CE1' ' HA2' ' A' ' 47' ' ' GLY . 28.7 m80 56.24 67.77 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.546 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER 66.84 15.38 10.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.581 ' O ' ' N ' ' A' ' 15' ' ' ILE . 2.5 tttt 69.21 94.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.973 ' CE3' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -47.44 -35.11 8.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 10.3 t70 -61.55 -26.32 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -76.65 -37.0 28.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.36 -32.55 58.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.812 HD12 ' HB ' ' A' ' 21' ' ' THR . 55.1 tp -84.04 -19.81 33.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 5.1 tm-20 -95.39 -18.7 20.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -91.89 -34.15 14.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.52 ' HA ' ' CB ' ' A' ' 27' ' ' MET . 47.2 t -93.74 -71.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.064 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.812 ' HB ' HD12 ' A' ' 17' ' ' LEU . 63.2 m -84.28 24.2 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.96 -5.11 4.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 26' ' ' ALA . 3.7 t -122.25 -41.13 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.427 ' HE3' ' N ' ' A' ' 24' ' ' MET . 0.0 OUTLIER 72.26 30.63 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.847 ' HA ' HG23 ' A' ' 29' ' ' VAL . 14.3 tt0 -178.11 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.881 ' HB2' HG11 ' A' ' 23' ' ' VAL . . . -64.85 -24.65 67.61 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.52 ' CB ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -156.03 15.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.57 ' HE3' ' CG ' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -110.39 -16.66 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.388 1.055 . . . . 0.0 109.275 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.847 HG23 ' HA ' ' A' ' 25' ' ' GLU . 55.2 t -99.11 46.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.497 HG23 ' HA ' ' A' ' 35' ' ' GLU . 4.0 t -132.39 71.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.797 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.3 m 55.93 102.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.6 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -25.27 -73.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.9 ' O ' HD13 ' A' ' 37' ' ' LEU . 5.4 mt-10 -45.9 -35.16 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.752 ' N ' ' O ' ' A' ' 31' ' ' SER . 6.5 mttt -89.06 -24.69 22.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.364 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.797 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -58.67 -17.56 23.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.502 ' HA ' HG22 ' A' ' 39' ' ' THR . 1.8 tp60 -121.56 -35.69 3.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.9 HD13 ' O ' ' A' ' 33' ' ' GLU . 11.0 mp -69.34 -64.54 0.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -23.28 67.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -80.93 -19.03 45.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.581 ' CB ' HG23 ' A' ' 98' ' ' ILE . . . -121.96 5.73 9.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 1.031 HG23 ' OD1' ' A' ' 45' ' ' ASN . 60.5 mt -109.27 -43.81 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.599 ' C ' ' O ' ' A' ' 41' ' ' ILE . 8.7 t70 -24.01 -64.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -137.43 -7.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.646 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -77.81 -18.29 56.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 1.031 ' OD1' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -46.2 -77.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -88.51 -22.83 23.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 10' ' ' HIS . . . -72.45 -44.79 40.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.941 HD22 ' O ' ' A' ' 99' ' ' LEU . 1.3 tt -68.86 -51.21 42.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 0.805 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -55.51 -34.84 64.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.239 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.452 ' HB3' ' HE1' ' A' ' 10' ' ' HIS . . . -74.58 -72.56 0.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.973 ' CE1' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -46.55 -51.39 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.804 ' HB ' HD23 ' A' ' 48' ' ' LEU . 2.0 tt -54.26 -42.22 55.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' CD ' ' CG1' ' A' ' 103' ' ' VAL . 1.7 tt0 -78.86 -2.5 40.09 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -112.11 -15.96 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.616 ' CE1' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -121.27 -71.19 0.74 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.614 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 1.4 m120 150.85 -18.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.614 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.0 OUTLIER 95.18 10.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.8 m -174.14 33.6 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.616 ' O ' ' CE1' ' A' ' 55' ' ' TYR . 4.9 tt0 -136.35 39.29 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.258 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.687 ' CG1' ' CZ3' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -70.04 -46.43 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.736 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 28.8 t0 -61.6 -48.49 80.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.391 1.057 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.736 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 12.0 tt0 110.68 -52.01 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.4 Cg_endo -74.95 -42.98 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER 76.58 41.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 65' ' ' ILE . 2.6 mt -130.61 2.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -172.03 63.52 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 110.384 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 66' ' ' GLN . 3.5 mt 161.46 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.568 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.5 t70 -64.91 -45.59 85.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.3 m-20 -84.8 -17.69 37.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.5 -34.41 70.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.6 m -101.23 -33.85 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -68.88 -30.89 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.362 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 22.8 tt0 -63.41 -24.01 67.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 52.1 mt -86.09 -57.06 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -61.67 -29.09 69.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 50.0 mtpt -82.33 -62.05 1.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.554 ' O ' ' HB3' ' A' ' 81' ' ' MET . 37.5 tt0 -53.55 -29.54 37.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.592 ' CB ' ' CG2' ' A' ' 21' ' ' THR . . . -80.01 -57.63 3.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.606 ' HA ' ' CA ' ' A' ' 83' ' ' GLY . 1.3 ttp180 -72.76 5.87 2.89 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 21.6 t0 -116.72 -45.14 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.554 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.14 -32.2 71.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.595 ' CG ' ' HA ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 176.29 30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.655 ' O ' ' HB2' ' A' ' 84' ' ' GLN . . . 86.54 -29.96 4.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.655 ' HB2' ' O ' ' A' ' 83' ' ' GLY . 0.0 OUTLIER 164.27 -14.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -172.63 -40.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.615 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER 154.84 39.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.769 ' HB2' HD13 ' A' ' 91' ' ' LEU . 15.2 mt -128.31 -2.82 5.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 87' ' ' LEU . 14.9 p-10 -32.98 -39.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 87' ' ' LEU . 12.6 pt-20 -42.18 -46.89 4.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -121.39 -12.82 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.769 HD13 ' HB2' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -79.09 -19.64 50.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -59.82 -43.05 94.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.496 ' O ' ' CG ' ' A' ' 97' ' ' GLN . 5.9 p -88.82 -29.42 19.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.423 ' O ' ' HB ' ' A' ' 98' ' ' ILE . 1.2 mp -74.42 -29.27 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 91' ' ' LEU . 10.2 tt -77.58 -45.26 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -72.42 -20.42 61.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.621 ' O ' ' CA ' ' A' ' 101' ' ' ILE . 77.4 mt-30 -89.74 -43.03 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.901 HD11 ' CG1' ' A' ' 41' ' ' ILE . 3.7 tp -81.45 -8.77 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 48' ' ' LEU . 4.4 tt -97.05 -41.83 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.659 ' O ' HG22 ' A' ' 101' ' ' ILE . 0.4 OUTLIER -126.93 -32.45 2.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.673 HG22 HG23 ' A' ' 103' ' ' VAL . 0.4 OUTLIER 61.99 20.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.57 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 1.4 t 91.45 18.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.673 HG23 HG22 ' A' ' 101' ' ' ILE . 82.4 t -98.19 -11.88 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.618 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 0.3 OUTLIER -67.42 -6.39 19.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.952 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.618 ' CB ' ' O ' ' A' ' 104' ' ' SER . 25.5 tt0 96.36 17.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 72.23 -50.62 0.7 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 43.74 25.7 0.63 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 58.26 42.59 21.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.555 0.797 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.451 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 16.6 t . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.524 HG23 ' HD1' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -65.84 -35.37 80.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.456 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.524 ' HD1' HG23 ' A' ' 4' ' ' THR . 11.1 m-85 -119.62 -87.4 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -122.08 -64.68 1.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.451 ' HB2' ' N ' ' A' ' 3' ' ' CYS . 20.1 mp0 52.95 176.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.06 -56.68 1.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.603 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 6.1 m-70 -102.54 -38.22 7.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -47.61 -32.9 6.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.536 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.861 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -99.98 31.18 3.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.467 ' O ' HG22 ' A' ' 15' ' ' ILE . 6.5 mmtt -124.91 -63.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.691 ' CH2' HG22 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -71.15 -69.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 107.924 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -47.03 -32.62 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.861 HD13 ' HA ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -70.21 -37.55 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -74.39 -35.84 63.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.578 HD23 ' CG2' ' A' ' 71' ' ' THR . 10.1 tp -81.16 -14.55 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 2.6 mm-40 -103.53 -9.72 19.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HA ' HG23 ' A' ' 23' ' ' VAL . 2.6 mtpt -109.64 -66.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.676 ' OG ' HG23 ' A' ' 39' ' ' THR . 47.8 m -55.75 -91.49 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.541 1.151 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.42 ' CG2' HD12 ' A' ' 17' ' ' LEU . 7.1 t -85.47 29.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 110.354 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -119.49 -14.13 5.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.638 HG11 ' HB2' ' A' ' 26' ' ' ALA . 3.2 t -124.79 -41.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.184 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.526 ' HB3' ' O ' ' A' ' 23' ' ' VAL . 3.8 ttp 81.13 29.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.843 ' O ' HG12 ' A' ' 29' ' ' VAL . 27.9 tt0 -179.57 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.638 ' HB2' HG11 ' A' ' 23' ' ' VAL . . . -61.5 -25.44 67.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.465 ' CB ' ' HA ' ' A' ' 20' ' ' SER . 1.2 mmt -152.21 14.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.742 ' CE ' HD13 ' A' ' 87' ' ' LEU . 9.2 tptt -114.01 -12.43 12.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.843 HG12 ' O ' ' A' ' 25' ' ' GLU . 1.7 p -107.95 46.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.659 ' O ' ' CB ' ' A' ' 31' ' ' SER . 18.1 m -112.42 -24.9 9.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.73 ' O ' ' N ' ' A' ' 34' ' ' LYS . 2.9 m 144.9 109.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 31' ' ' SER . 1.1 mt-10 -29.94 -64.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.889 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -47.25 -31.62 3.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.73 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -94.67 -27.09 16.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.681 ' N ' ' O ' ' A' ' 31' ' ' SER . 22.7 mt-10 -71.05 -5.65 33.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.645 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 13.7 pt20 -123.72 -41.93 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.889 HD12 ' O ' ' A' ' 33' ' ' GLU . 1.4 mt -84.98 -56.17 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 3.8 m -69.84 -18.97 63.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.676 HG23 ' OG ' ' A' ' 20' ' ' SER . 16.6 m -92.39 -22.58 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.842 ' HB1' HG21 ' A' ' 98' ' ' ILE . . . -107.95 1.2 22.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.592 ' O ' ' C ' ' A' ' 42' ' ' ASP . 4.1 mm -120.4 -44.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -24.72 -69.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.602 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -131.51 -15.86 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.694 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 15.0 mtt -70.54 -20.53 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.436 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 3.3 t-20 -52.93 -86.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 2.1 tt0 -84.03 -20.65 32.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.7 ' O ' ' HB2' ' A' ' 51' ' ' PHE . . . -69.87 -53.42 15.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.694 ' HB2' ' O ' ' A' ' 44' ' ' MET . 1.5 tp -62.05 -53.94 48.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.357 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 8.3 m-20 -49.25 -40.08 32.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -78.96 -75.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.7 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -37.09 -53.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.954 HG21 HG13 ' A' ' 103' ' ' VAL . 2.3 mm -59.36 -44.85 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 21.3 tt0 -65.37 -10.43 33.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -29.04 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CZ ' ' O ' ' A' ' 60' ' ' ILE . 9.6 m-85 -121.91 -68.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.791 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.7 OUTLIER 151.76 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.724 ' CA ' HD12 ' A' ' 52' ' ' ILE . 3.0 tm-20 98.0 37.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 36.1 m -158.17 -50.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.731 ' C ' HG23 ' A' ' 60' ' ' ILE . 1.2 pm0 -68.71 -58.31 4.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.731 HG23 ' C ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER 76.3 -9.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.563 ' CG ' HD11 ' A' ' 65' ' ' ILE . 11.6 t70 -148.27 -50.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 1.5 tt0 157.4 -59.78 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.715 ' O ' HD12 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 -80.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -168.32 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 65' ' ' ILE . 20.6 mm 73.52 13.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 59.59 21.22 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.459 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.0 OUTLIER -140.87 2.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.663 ' HB3' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -67.59 -27.43 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 15.6 m-20 -84.31 -20.73 31.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -78.96 -31.66 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.356 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.578 ' CG2' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -95.21 -38.75 10.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -67.69 -36.52 80.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 3.4 tt0 -73.26 -26.27 61.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.655 HD22 HE22 ' A' ' 84' ' ' GLN . 17.5 mt -70.41 -59.07 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.543 ' HB3' HD11 ' A' ' 17' ' ' LEU . 2.8 ptt? -66.61 -34.04 76.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' N ' ' HG3' ' A' ' 75' ' ' MET . 5.8 ttmm -71.48 -68.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 7.1 pt20 -51.94 -20.13 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.65 ' HB1' ' HB2' ' A' ' 84' ' ' GLN . . . -76.23 -80.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.417 1.073 . . . . 0.0 109.333 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.507 ' HA ' ' HA2' ' A' ' 83' ' ' GLY . 6.4 ptm180 -56.11 -6.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 78' ' ' ALA . 6.9 m-20 -88.66 -51.89 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.564 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -73.05 -58.82 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.564 ' CE2' ' HG2' ' A' ' 81' ' ' MET . 0.0 OUTLIER -167.59 21.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 87' ' ' LEU . . . 85.1 41.18 7.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.655 HE22 HD22 ' A' ' 74' ' ' LEU . 5.8 tp60 77.51 -17.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.757 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 86' ' ' LYS . 1.1 pm0 -179.26 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.83 ' O ' HD13 ' A' ' 91' ' ' LEU . 4.3 tttp -177.68 29.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.883 HD12 ' CD2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -91.68 34.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 4.0 t30 -122.64 -43.53 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -34.39 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -115.46 -10.75 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.883 ' CD2' HD12 ' A' ' 87' ' ' LEU . 1.3 mp -80.49 -17.69 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 20.3 t30 -64.44 -36.31 83.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 29.7 m -86.63 -35.88 19.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.392 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.766 ' O ' HG22 ' A' ' 98' ' ' ILE . 1.2 mp -70.8 -35.77 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.617 HD11 HD11 ' A' ' 87' ' ' LEU . 4.9 mm -81.9 -38.07 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 100' ' ' SER . 12.5 ttpt -74.35 -18.96 60.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 93' ' ' THR . 30.4 tt0 -88.68 -45.51 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.842 HG21 ' HB1' ' A' ' 40' ' ' ALA . 5.6 tp -66.24 -25.79 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.663 ' CD1' HG23 ' A' ' 98' ' ' ILE . 10.0 mp -91.23 -37.1 13.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 43.9 t -77.27 -10.47 59.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.607 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.4 OUTLIER -66.98 -11.4 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.607 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 4.4 p 147.96 46.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.954 HG13 HG21 ' A' ' 52' ' ' ILE . 1.6 t -147.21 -45.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.24 -32.3 15.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 104' ' ' SER . 1.2 tt0 -37.2 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -156.91 72.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 108' ' ' GLU . . . -83.32 22.4 7.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.622 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 4.9 tt0 90.03 6.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.622 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 t -57.98 -35.53 71.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 0.0 110.42 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.5 -75.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 9.0 m-85 -115.15 -86.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER 167.78 70.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.77 -93.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 1.043 ' CE1' HD23 ' A' ' 54' ' ' LEU . 5.4 m170 -103.62 -17.31 15.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 109.61 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.537 ' CG ' ' OH ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -74.73 -23.08 58.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.538 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 20.24 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.398 1.061 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.401 ' N ' ' HB ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -141.88 -70.05 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.778 ' HE1' HD12 ' A' ' 48' ' ' LEU . 1.5 t90 -58.86 -71.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 107.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 25.7 t0 -54.5 -21.84 11.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.55 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 1.2 mm -77.41 -25.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' CD1' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -81.68 -30.19 32.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.911 HD11 ' HB3' ' A' ' 75' ' ' MET . 41.5 tp -95.37 -12.29 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.577 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 6.9 tt0 -106.22 -16.84 14.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 2.3 tttt -115.16 -20.78 10.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.615 ' CA ' ' HB3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -121.34 60.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.988 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.786 HG23 HG23 ' A' ' 23' ' ' VAL . 1.1 t -122.86 19.18 10.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.511 ' N ' ' HG2' ' A' ' 27' ' ' MET . . . 84.41 -9.52 64.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.786 HG23 HG23 ' A' ' 21' ' ' THR . 42.9 t -76.95 -49.7 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.46 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 2.2 mpp? -83.53 -10.64 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.676 ' O ' HG12 ' A' ' 29' ' ' VAL . 0.1 OUTLIER 79.31 -3.38 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -67.85 -12.03 59.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.615 ' HB3' ' CA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -127.24 -3.27 6.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.98 -1.81 8.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -123.23 24.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 34' ' ' LYS . 9.0 m -110.17 27.63 9.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.419 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER 79.14 -0.39 2.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.6 mt-10 77.72 -52.36 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.48 -43.0 86.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.238 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' HB3' HG22 ' A' ' 30' ' ' THR . 8.4 mttp -82.03 -16.94 48.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.581 ' CG ' ' O ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -71.16 -45.6 63.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.925 ' CD ' HD13 ' A' ' 91' ' ' LEU . 13.7 mm-40 -80.14 -36.79 34.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.636 HD12 HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -59.28 -47.54 84.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.651 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 1.3 m -70.19 -46.58 64.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.81 HG22 ' HA ' ' A' ' 36' ' ' GLN . 1.3 t -68.16 -1.59 6.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HB2' ' CG2' ' A' ' 94' ' ' ILE . . . -120.52 -12.16 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.636 HD12 HD12 ' A' ' 37' ' ' LEU . 3.3 mt -128.77 -52.62 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.651 ' CB ' ' O ' ' A' ' 38' ' ' SER . 28.1 t0 -23.13 -68.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.658 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 14.9 mmt-85 -127.52 -11.32 5.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.369 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.971 ' HG3' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.22 -19.76 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.514 ' CG ' ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -63.11 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' H ' ' CG ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -79.01 -16.92 56.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.658 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -75.78 -37.83 38.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.971 HD13 ' HG3' ' A' ' 44' ' ' MET . 5.1 tp -68.14 -52.43 34.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.473 ' C ' HG22 ' A' ' 52' ' ' ILE . 2.5 m-20 -59.26 -39.96 84.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -74.63 -72.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.719 ' HB3' ' CE3' ' A' ' 13' ' ' TRP . 22.8 m-30 -41.11 -51.33 3.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.841 HG22 ' O ' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -52.94 -43.87 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . 43.2 tt0 -89.32 8.47 30.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.043 HD23 ' CE1' ' A' ' 9' ' ' HIS . 2.6 mp -117.83 -17.59 9.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.647 ' CE1' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -111.25 -64.66 1.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.627 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 3.6 m-20 156.92 -5.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.394 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.627 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.2 mt-10 96.59 80.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.5 m 156.81 -22.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.663 ' OE1' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 86.05 -7.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.59 HG22 HD23 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -158.07 16.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.501 ' CB ' ' HB3' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -40.9 -35.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 137.17 1.48 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 83.21 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.774 HD22 ' HB2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -95.46 -19.67 19.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 65' ' ' ILE . 0.9 OUTLIER 72.42 21.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.446 ' HG3' HD23 ' A' ' 64' ' ' LEU . 3.1 pt20 169.38 55.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.774 ' HB2' HD22 ' A' ' 64' ' ' LEU . 1.4 tp -169.35 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.199 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 24.7 t0 -66.95 -48.32 68.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.0 p30 -83.64 -20.52 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.467 ' O ' HD13 ' A' ' 74' ' ' LEU . 1.5 t0 -68.37 -33.51 74.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.472 ' HB ' ' CD1' ' A' ' 60' ' ' ILE . 1.2 m -102.21 -47.88 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -54.68 -41.04 69.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 10.1 tt0 -74.6 -17.18 60.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 70' ' ' ASP . 1.4 tp -71.97 -53.51 12.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.911 ' HB3' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.29 -21.35 49.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.81 -59.29 2.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 6.8 pt20 -56.99 -38.11 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.71 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -72.42 -61.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.575 ' HG3' HD13 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -51.98 -13.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 78' ' ' ALA . 11.3 t0 -103.93 -27.07 12.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 6.0 ptp -73.25 -17.42 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.588 1.18 . . . . 0.0 111.024 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 173.49 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.814 ' O ' HD23 ' A' ' 91' ' ' LEU . . . 135.21 45.08 0.1 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.71 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 2.9 tt0 77.09 -20.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.303 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 83' ' ' GLY . 5.7 tm-20 177.12 29.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 0.6 OUTLIER 70.86 41.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.446 HD23 ' HG2' ' A' ' 36' ' ' GLN . 57.8 tp -122.62 6.04 9.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 23.9 p-10 -51.45 -34.5 35.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -38.64 -41.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -121.42 -25.98 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.966 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.1 tp -67.38 -45.98 74.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 3.6 p30 -40.22 -33.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.219 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.471 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 53.4 m -84.02 -36.64 22.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.445 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.4 mm -71.64 -37.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.966 HG22 ' O ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -71.81 -44.89 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.615 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -65.02 -25.74 67.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.338 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -78.08 -45.13 24.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 48' ' ' LEU . 1.1 mp -75.25 -12.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.824 HD22 HG13 ' A' ' 95' ' ' ILE . 4.8 mp -105.03 -21.13 13.33 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.1 t -96.18 -10.08 28.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.878 HG22 HG22 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -60.32 -10.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 1.3 t 86.48 45.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.878 HG22 HG22 ' A' ' 101' ' ' ILE . 8.9 m -136.25 -51.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 3.5 t -43.9 -49.64 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.937 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 104' ' ' SER . 0.5 OUTLIER 155.53 40.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 1.067 . . . . 0.0 110.328 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -50.66 34.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.4 49.34 3.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.494 ' OE2' ' CB ' ' A' ' 109' ' ' LYS . 1.5 pp20? -163.51 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 0.722 . . . . 0.0 110.36 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.494 ' CB ' ' OE2' ' A' ' 108' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.746 ' SG ' HD11 ' A' ' 15' ' ' ILE . 19.0 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 t -121.15 -0.1 10.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.96 -39.32 94.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -66.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.54 -81.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -100.45 -93.66 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.41 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -175.55 33.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 11' ' ' ARG . 5.4 m-70 42.72 45.75 4.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 109.524 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.604 ' HB2' ' CE2' ' A' ' 51' ' ' PHE . 0.4 OUTLIER 78.21 37.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 2.9 ptpp? 50.47 32.97 7.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.362 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.838 ' HB3' HG22 ' A' ' 60' ' ' ILE . 6.0 m0 -72.54 -46.28 55.24 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' ' HB ' ' A' ' 60' ' ' ILE . 29.2 t70 -78.1 -26.78 48.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.746 HD11 ' SG ' ' A' ' 3' ' ' CYS . 25.9 mm -75.81 -36.19 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 39' ' ' THR . 1.9 tm? -80.67 -36.23 32.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.672 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -74.15 -24.78 59.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -94.1 -22.28 18.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HD2' HG22 ' A' ' 15' ' ' ILE . 11.9 mttt -76.78 -40.16 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.915 ' O ' HG22 ' A' ' 21' ' ' THR . 11.3 p -33.55 -59.86 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.936 HG23 ' H ' ' A' ' 23' ' ' VAL . 1.2 t 86.43 -39.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.87 -2.05 1.07 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.569 1.168 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.936 ' H ' HG23 ' A' ' 21' ' ' THR . 43.7 t -61.77 -24.71 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.653 ' CG ' ' O ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER 82.96 21.22 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.54 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.488 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -55.39 -16.32 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.509 ' N ' HG21 ' A' ' 21' ' ' THR . 0.0 OUTLIER 171.78 34.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.804 ' HG2' HG22 ' A' ' 21' ' ' THR . 10.3 mmmt -131.73 -0.08 3.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 29' ' ' VAL . 11.1 p -83.14 48.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.824 HG22 ' O ' ' A' ' 30' ' ' THR . 1.1 m -109.41 54.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER 72.05 10.54 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 3.7 mt-10 62.86 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.275 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.741 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -46.82 -37.51 8.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' CG ' ' OG ' ' A' ' 38' ' ' SER . 0.9 OUTLIER -88.66 -19.56 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -57.25 -28.4 62.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.909 ' HG3' HD11 ' A' ' 91' ' ' LEU . 1.4 mm-40 -117.09 -22.39 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.83 ' CD2' HG23 ' A' ' 94' ' ' ILE . 49.2 mt -85.41 -60.22 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.775 ' HA ' HG22 ' A' ' 41' ' ' ILE . 65.3 m -64.14 -19.33 65.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.597 HG21 ' O ' ' A' ' 35' ' ' GLU . 61.1 p -93.26 -26.14 17.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -107.72 3.1 24.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.775 HG22 ' HA ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -119.1 -36.25 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.562 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -27.7 -64.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -130.36 -12.51 3.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.705 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 4.2 mtt -72.56 -23.01 60.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.459 ' HB2' ' CD1' ' A' ' 41' ' ' ILE . 12.4 t30 -40.86 -83.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.571 1.17 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -85.29 -19.39 31.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 51' ' ' PHE . . . -69.9 -34.27 71.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.59 1.181 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.976 HD21 ' O ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -82.41 -58.21 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' O ' HG22 ' A' ' 52' ' ' ILE . 59.4 t0 -44.24 -36.83 2.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.81 -65.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 3.2 m-85 -50.05 -33.99 20.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.738 HD12 ' HG ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.31 -49.24 83.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.183 . . . . 0.0 109.336 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 9.1 tt0 -75.01 -2.47 27.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 tp -107.08 -27.55 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.632 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 6.3 m-85 -123.94 -73.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.606 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER 175.4 -56.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.655 ' HB2' ' CG1' ' A' ' 52' ' ' ILE . 3.9 tm-20 152.19 -12.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.841 ' O ' HD12 ' A' ' 67' ' ' LEU . 6.6 m -128.94 44.81 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.632 ' OE2' ' CE2' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -102.51 26.12 8.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.844 HD13 ' H ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -65.3 -42.93 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.844 ' H ' HD13 ' A' ' 60' ' ' ILE . 12.1 t0 -116.02 -55.15 2.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 45.0 78.02 0.42 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 18.3 Cg_endo -74.96 0.29 9.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.777 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 3.4 tp 85.82 2.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.38 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -96.12 -22.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.426 1.079 . . . . 0.0 109.243 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.823 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -175.34 -71.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.841 HD12 ' O ' ' A' ' 58' ' ' SER . 0.3 OUTLIER 89.67 -34.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.651 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.4 t70 -69.94 -45.39 67.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -82.64 -10.01 59.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.47 -34.58 63.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.805 ' OG1' HD12 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -110.56 -20.91 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.371 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.651 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -80.14 -32.99 38.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 29.7 tt0 -60.58 -30.04 69.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.487 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.29 -60.63 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.513 ' CG ' ' HA ' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -50.89 -31.96 19.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 14.0 mtpt -80.75 -51.77 8.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 81' ' ' MET . 27.9 tp60 -54.55 -25.43 25.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.913 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -87.47 -71.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.584 ' HA ' ' HA2' ' A' ' 83' ' ' GLY . 0.3 OUTLIER -48.12 -18.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 41.1 t0 -96.85 -38.59 9.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.546 ' CB ' ' O ' ' A' ' 77' ' ' GLN . 5.3 ttp -60.01 -19.26 51.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.602 ' CD2' ' HD2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 170.83 -21.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.956 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.584 ' HA2' ' HA ' ' A' ' 79' ' ' ARG . . . 129.99 28.38 0.73 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.913 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 26.5 tp60 74.75 -16.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 83' ' ' GLY . 0.2 OUTLIER 178.75 26.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.602 ' HD2' ' CD2' ' A' ' 82' ' ' TYR . 0.1 OUTLIER 63.45 34.37 12.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.528 ' C ' ' HB2' ' A' ' 91' ' ' LEU . 13.1 mt -122.84 1.76 9.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 87' ' ' LEU . 1.1 t30 -38.09 -38.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -43.01 -40.68 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -123.38 -2.83 8.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.909 HD11 ' HG3' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -84.69 -26.88 27.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -56.25 -45.05 80.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 t -88.82 -37.71 15.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.83 HG23 ' CD2' ' A' ' 37' ' ' LEU . 61.2 mt -64.26 -28.94 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.796 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -82.27 -47.45 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.222 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -60.72 -19.0 57.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.503 ' O ' ' CA ' ' A' ' 101' ' ' ILE . 2.3 mp0 -103.38 -49.39 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.626 ' HB ' ' O ' ' A' ' 94' ' ' ILE . 1.6 tp -79.97 -0.27 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.976 ' O ' HD21 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -121.61 -39.92 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.478 ' HB2' ' CB ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -112.7 -30.92 6.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER 60.55 16.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER 79.79 6.71 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 110.08 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.7 t -100.8 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 100' ' ' SER . 0.4 OUTLIER -112.28 -22.31 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -40.69 -31.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.391 1.057 . . . . 0.0 110.36 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.546 ' HB3' ' CB ' ' A' ' 109' ' ' LYS . 17.5 mm-40 66.79 5.29 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.75 -58.29 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 106' ' ' GLU . 2.0 tp10 -156.75 19.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.546 ' CB ' ' HB3' ' A' ' 106' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.8 m -75.09 -78.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -78.28 -91.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 7' ' ' GLU . 43.3 p90 -121.52 -48.04 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.573 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.5 OUTLIER 49.89 -171.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.76 -77.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -131.4 27.19 4.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.563 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.504 ' CE1' ' HB ' ' A' ' 60' ' ' ILE . 11.2 m80 -70.86 -31.29 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.588 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.649 ' HA ' HD12 ' A' ' 15' ' ' ILE . 2.0 ptm180 -85.06 48.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.556 ' CA ' HG22 ' A' ' 15' ' ' ILE . 2.2 ptmm? 179.03 -65.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.917 ' CE2' ' CZ ' ' A' ' 51' ' ' PHE . 7.0 t90 -70.69 -55.84 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.783 ' HB2' HG21 ' A' ' 60' ' ' ILE . 26.8 t0 -74.47 -28.47 61.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 11' ' ' ARG . 1.6 tt -67.91 -34.85 69.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.07 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.651 ' O ' HD13 ' A' ' 16' ' ' LEU . 1.9 tm? -80.54 -33.91 35.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.817 HD23 ' CG2' ' A' ' 71' ' ' THR . 6.9 tp -86.46 -3.4 59.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 6.3 tm-20 -116.4 -17.21 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.579 ' O ' HG21 ' A' ' 23' ' ' VAL . 2.1 mtpp -114.75 -9.44 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -122.26 -69.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.622 ' CB ' HD12 ' A' ' 17' ' ' LEU . 44.7 m -76.87 51.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.446 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.46 21.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.579 HG21 ' O ' ' A' ' 19' ' ' LYS . 61.3 t -125.42 -43.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.542 ' O ' ' HE3' ' A' ' 24' ' ' MET . 1.1 ttp 71.69 5.58 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.544 ' HB2' HG12 ' A' ' 23' ' ' VAL . 2.2 mt-10 -113.49 -64.82 1.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' O ' HG21 ' A' ' 30' ' ' THR . . . -78.78 1.11 24.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.577 ' CE ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -119.42 -22.1 7.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.577 ' CB ' ' CE ' ' A' ' 27' ' ' MET . 1.3 tptt -121.98 -41.1 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' GLU . 84.0 t -92.44 63.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.636 ' O ' ' CB ' ' A' ' 31' ' ' SER . 1.4 p -128.65 -32.36 2.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 30' ' ' THR . 4.7 p 146.7 11.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 66.0 -71.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' SER . 12.6 pt-20 -48.86 -38.14 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 -21.56 19.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -66.7 -14.27 62.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.874 ' NE2' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -120.53 -37.4 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.91 -60.83 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.246 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.9 m -70.76 -14.88 62.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 1.9 m -93.12 -23.58 18.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.376 1.047 . . . . 0.0 110.387 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -109.88 1.76 19.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.61 ' O ' ' C ' ' A' ' 42' ' ' ASP . 25.0 mt -121.97 -41.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -21.83 -74.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.676 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.9 OUTLIER -131.47 -9.19 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.696 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 3.6 mtt -72.24 -21.28 61.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.498 ' CG ' HG23 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -57.94 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.669 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.5 mm-40 -85.69 -26.45 25.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.676 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -65.58 -43.4 94.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.736 HD23 HG11 ' A' ' 103' ' ' VAL . 1.1 tp -70.73 -45.19 65.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -72.49 -20.85 61.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . -81.46 -77.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.917 ' CZ ' ' CE2' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -40.18 -42.73 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.795 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -68.15 -46.77 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.54 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 13.0 tt0 -73.42 -2.87 24.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -119.35 -15.78 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.671 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -126.16 -68.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.62 43.04 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.671 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 1.3 tp10 -88.27 -24.16 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.233 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 2.3 m 91.08 -14.69 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -151.18 -72.54 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER 172.92 -65.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.527 ' HB2' ' CB ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -54.77 -71.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.57 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 3.2 pt-20 173.26 159.21 0.28 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 42.91 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.426 1.751 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.692 ' O ' HG22 ' A' ' 65' ' ' ILE . 45.9 tp -87.21 -17.75 31.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER 88.34 20.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.731 HE21 HD23 ' A' ' 67' ' ' LEU . 7.3 pt20 -107.2 -31.35 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.731 HD23 HE21 ' A' ' 66' ' ' GLN . 1.0 OUTLIER -127.38 -27.45 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.219 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.582 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -66.1 -34.2 77.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -87.79 -21.34 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -69.18 -40.24 78.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.817 ' CG2' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -88.07 -38.69 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.19 -31.38 70.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -69.27 -24.0 63.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 71' ' ' THR . 20.0 mt -71.33 -57.28 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.735 ' O ' HD11 ' A' ' 87' ' ' LEU . 4.3 ptm -66.46 -37.69 85.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -68.95 -52.08 32.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.565 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 32.4 tt0 -54.44 -26.62 31.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -70.53 -77.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.642 ' HB2' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -59.55 -7.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 3.8 t0 -80.05 -53.21 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 mmt -76.51 -29.78 56.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 178.14 -30.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.19 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.634 ' C ' ' HB2' ' A' ' 88' ' ' ASN . . . 92.0 -4.18 77.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 8.7 pt20 -37.48 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.243 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 83' ' ' GLY . 0.4 OUTLIER -49.5 -80.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.298 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.945 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.9 OUTLIER -147.83 -0.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.377 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -133.63 61.74 1.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.769 HD22 ' N ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -110.78 -113.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.769 ' N ' HD22 ' A' ' 88' ' ' ASN . 1.5 tt0 -74.33 -77.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.23 -20.78 33.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.874 HD22 ' NE2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -74.59 -35.76 62.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 3.0 t30 -55.17 -38.26 68.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.411 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . 50.7 m -72.11 -41.93 66.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.668 HG21 ' C ' ' A' ' 36' ' ' GLN . 42.6 mm -66.3 -37.36 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.945 HD11 ' HE3' ' A' ' 86' ' ' LYS . 8.5 mm -82.1 -29.72 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 100' ' ' SER . 2.1 ttpp -62.04 -34.03 75.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.626 1.204 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' O ' ' HB ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -83.38 -45.76 13.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.879 HG22 ' HA ' ' A' ' 95' ' ' ILE . 3.5 tp -70.98 -14.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -102.83 -29.86 11.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.1 t -87.11 -10.36 53.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.8 HG23 ' CG1' ' A' ' 103' ' ' VAL . 6.1 tp -65.67 -6.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 3.4 m 97.18 51.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 110.023 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.8 ' CG1' HG23 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -125.15 -39.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.489 ' CB ' ' CD1' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -123.6 -37.73 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.053 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 99' ' ' LEU . 0.6 OUTLIER -69.57 -16.51 63.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -125.98 13.98 7.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.72 -9.45 32.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 2.0 tt0 -171.99 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.235 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HB2' ' CB ' ' A' ' 11' ' ' ARG . 9.5 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m -98.4 -7.46 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -105.22 -77.51 0.58 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 7' ' ' GLU . 43.3 t80 -120.18 -64.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 6' ' ' PHE . 10.6 mm-40 -43.65 168.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -120.86 -75.58 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 12' ' ' LYS . 1.2 p-80 -98.42 -23.02 15.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.542 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.586 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 34.6 m-70 -56.53 -26.67 55.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.553 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.435 ' CB ' ' HB2' ' A' ' 3' ' ' CYS . 34.4 mtp180 -117.26 12.39 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 9' ' ' HIS . 20.4 tptt -95.24 -46.17 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.674 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -53.28 -37.76 62.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 108.019 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -75.04 -25.63 58.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.86 -34.3 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 20' ' ' SER . 2.8 tm? -77.47 -30.07 53.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.547 HD13 HG22 ' A' ' 71' ' ' THR . 0.8 OUTLIER -89.84 -16.29 30.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.538 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 3.0 tm-20 -97.4 -16.97 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.709 ' O ' HG22 ' A' ' 23' ' ' VAL . 35.2 mttt -103.61 -36.18 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 38.1 t -64.0 -63.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.658 HG21 ' NE2' ' A' ' 84' ' ' GLN . 3.7 p -121.96 40.11 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 18' ' ' GLU . . . -128.55 -1.9 5.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.853 HG21 ' HB3' ' A' ' 26' ' ' ALA . 12.2 m -125.09 -43.97 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 24' ' ' MET . 4.0 ttp 77.86 30.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.66 ' O ' HG12 ' A' ' 29' ' ' VAL . 0.0 OUTLIER 172.71 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.853 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -57.26 -16.52 8.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -166.27 22.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.518 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -120.99 -9.28 9.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.732 ' O ' HG13 ' A' ' 29' ' ' VAL . 4.5 p -120.99 54.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.367 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.663 ' O ' ' CB ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -107.25 -0.85 22.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 30' ' ' THR . 3.8 t 144.94 -14.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.515 ' CG ' HD13 ' A' ' 87' ' ' LEU . 0.5 OUTLIER 81.84 -69.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.244 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 7.1 mt-10 -69.84 -34.47 73.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -91.77 -22.1 20.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.619 ' O ' ' CG2' ' A' ' 39' ' ' THR . 6.7 tm-20 -78.29 -15.66 58.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.802 ' HG3' HG21 ' A' ' 94' ' ' ILE . 6.1 tp60 -107.11 -36.96 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 11.7 tp -79.58 -57.67 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 1.8 m -55.11 -30.98 60.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.619 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 44.0 p -88.03 -21.87 24.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -82.76 -12.37 57.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -121.78 -31.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 38' ' ' SER . 2.6 m-20 -39.02 -71.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.09 -30.88 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.709 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.5 mmt -59.04 -24.05 62.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.605 1.191 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 7.5 t-20 -58.87 -87.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.552 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.1 tp10 -82.12 -23.52 35.62 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 1.092 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.634 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -65.96 -41.62 95.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.738 HD12 ' C ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.82 -50.63 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 0.735 . . . . 0.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.512 ' C ' HG22 ' A' ' 52' ' ' ILE . 2.4 t0 -58.31 -33.85 69.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -80.28 -70.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.674 ' CD2' ' HB2' ' A' ' 13' ' ' TRP . 2.2 t80 -44.13 -39.53 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.62 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -64.79 -44.59 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -69.84 -9.25 54.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.68 -27.21 10.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.408 1.067 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.652 ' CE2' ' CB ' ' A' ' 61' ' ' ASP . 5.9 m-85 -120.93 -64.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 47.2 t-20 63.07 30.4 16.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.584 ' O ' ' CB ' ' A' ' 58' ' ' SER . 18.6 tp10 -129.64 -9.7 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 110.292 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.612 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.7 t 92.38 18.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.612 ' CB ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 95.77 55.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.583 ' CD1' ' C ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -85.07 -54.3 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.652 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . 1.4 t70 -35.82 -43.0 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.36 118.28 48.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 95.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -125.5 -70.08 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -140.25 -37.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.74 ' O ' ' HB3' ' A' ' 67' ' ' LEU . 3.6 tt0 176.56 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.142 HD22 ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER 161.77 -44.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 1.142 ' N ' HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -62.58 -64.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.589 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 99.3 m-20 -70.12 -29.48 66.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -48.97 -37.6 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.547 HG22 HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -122.43 -53.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.835 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . -46.24 -42.11 13.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.248 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.589 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.7 tt0 -58.79 -27.07 64.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -78.71 -55.21 5.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.51 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -70.63 -14.97 62.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 20.5 tttt -83.58 -52.12 6.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -58.95 -36.09 74.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.556 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -76.79 -52.66 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.645 ' HA ' ' C ' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -68.91 -3.53 13.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 10.0 t70 -113.88 -19.67 11.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 77' ' ' GLN . 1.3 tpp -98.55 -47.16 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.487 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 0.2 OUTLIER -129.74 -45.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.645 ' C ' ' HA ' ' A' ' 79' ' ' ARG . . . 157.0 -22.91 0.46 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.91 ' HB3' HD13 ' A' ' 91' ' ' LEU . 26.4 tp60 154.52 -30.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.777 . . . . 0.0 110.272 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.976 ' HB3' HD11 ' A' ' 91' ' ' LEU . 6.4 tm-20 -170.44 23.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.248 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 73.54 18.16 3.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.613 ' H ' HD12 ' A' ' 91' ' ' LEU . 12.0 tp -125.12 10.89 8.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.603 1.189 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.538 ' HB3' ' HA3' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -30.43 -44.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -39.45 -45.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -114.41 -15.53 12.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.976 HD11 ' HB3' ' A' ' 85' ' ' GLU . 2.2 mt -64.5 -45.47 87.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 96' ' ' LYS . 1.7 t30 -36.63 -34.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.22 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 91' ' ' LEU . 21.4 m -89.71 -37.97 14.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.802 HG21 ' HG3' ' A' ' 36' ' ' GLN . 2.0 mm -66.05 -41.32 89.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.911 HG22 ' O ' ' A' ' 91' ' ' LEU . 0.7 OUTLIER -77.21 -41.23 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.626 ' O ' ' CB ' ' A' ' 100' ' ' SER . 14.1 tttt -64.05 -26.94 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.82 ' O ' HD13 ' A' ' 101' ' ' ILE . 9.9 mm100 -84.17 -43.58 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.521 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 1.4 mp -81.86 0.86 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.534 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 2.2 tp -118.77 -23.35 7.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.626 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 23.3 t -99.02 -12.53 20.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.82 HD13 ' O ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -65.8 -6.82 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.616 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 3.4 m 95.16 39.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.569 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -111.86 -31.94 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.25 -52.62 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 106' ' ' GLU . 2.3 tt0 171.23 31.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.519 ' C ' ' O ' ' A' ' 105' ' ' GLU . 3.3 tp10 29.26 40.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 105' ' ' GLU . . . -102.45 53.51 0.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER 63.84 35.15 11.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 0.722 . . . . 0.0 110.263 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 1.7 ttpt 90.57 -39.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 109' ' ' LYS . 1.1 mt-10 165.01 76.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.47 -86.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 110' ' ' GLU . 37.8 t -119.2 132.82 23.82 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -52.72 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.772 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.1 ttp-105 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.562 ' CB ' ' HB3' ' A' ' 11' ' ' ARG . 35.5 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.5 m -68.62 -40.42 80.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' A' ' 6' ' ' PHE . 2.6 t80 -89.93 -90.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 1.065 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.518 ' N ' ' CG ' ' A' ' 5' ' ' PHE . 28.9 t80 -119.13 -67.75 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 1.2 mm-40 47.28 -174.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.097 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -111.8 -35.8 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.644 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 0.7 OUTLIER 158.61 -23.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.546 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 54' ' ' LEU . 4.9 m-70 -44.09 -34.31 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.385 1.053 . . . . 0.0 109.579 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -88.26 -26.38 22.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.355 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 9' ' ' HIS . 0.1 OUTLIER -46.78 -40.58 13.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.238 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.618 ' CH2' HD13 ' A' ' 52' ' ' ILE . 8.9 t90 -49.25 -36.21 19.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.006 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.606 ' OD1' HD22 ' A' ' 67' ' ' LEU . 16.3 m-20 -76.86 -26.55 54.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -63.45 -34.32 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.632 ' O ' HD13 ' A' ' 16' ' ' LEU . 2.6 tm? -85.76 -34.72 21.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.707 HD23 ' HB ' ' A' ' 71' ' ' THR . 1.1 tp -77.26 -7.36 55.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 23' ' ' VAL . 3.4 mt-10 -118.28 -21.23 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -96.83 -10.59 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 17.0 m -121.34 -41.75 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.837 HG22 ' O ' ' A' ' 21' ' ' THR . 1.1 m -123.88 44.92 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 18' ' ' GLU . . . -170.85 23.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.754 HG11 ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -124.92 -52.04 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 3.5 ttp 82.32 31.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.814 ' HA ' HG12 ' A' ' 29' ' ' VAL . 1.5 mt-10 163.8 -42.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB3' HG11 ' A' ' 23' ' ' VAL . . . -53.66 -24.75 15.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.448 1.092 . . . . 0.0 109.233 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.473 ' CE ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER 171.09 33.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.602 1.189 . . . . 0.0 110.952 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 84' ' ' GLN . 21.6 ttmt -118.59 -11.77 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.814 HG12 ' HA ' ' A' ' 25' ' ' GLU . 5.5 p -145.75 61.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.7 m -79.29 -60.13 2.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 110.338 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -156.94 22.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' HG2' HD13 ' A' ' 87' ' ' LEU . 3.8 mt-10 68.04 -63.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 3.3 tt0 -67.67 -35.76 79.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 38' ' ' SER . 1.1 mptt -90.36 -28.58 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.5 OUTLIER -72.04 -15.15 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.988 ' HB3' HG21 ' A' ' 94' ' ' ILE . 73.0 mt-30 -107.24 -39.36 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 15.6 tp -87.43 -61.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -53.46 -26.33 19.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.023 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -91.11 -26.04 19.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 0.0 110.428 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -85.24 -7.86 58.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.524 ' O ' ' C ' ' A' ' 42' ' ' ASP . 1.1 pt -123.67 -32.58 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -30.15 -73.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.615 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -116.88 -19.33 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.787 ' O ' HD22 ' A' ' 48' ' ' LEU . 8.6 mmt -60.98 -18.72 59.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.03 -86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.35 -12.41 59.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.657 ' O ' ' CG ' ' A' ' 51' ' ' PHE . . . -76.79 -47.69 9.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.09 HD23 ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -69.25 -35.64 76.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 1.09 ' N ' HD23 ' A' ' 48' ' ' LEU . 40.1 t0 -69.37 -40.73 77.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' ' 54' ' ' LEU . . . -79.75 -65.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.657 ' CG ' ' O ' ' A' ' 47' ' ' GLY . 21.5 m-30 -39.85 -53.46 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.618 HD13 ' CH2' ' A' ' 13' ' ' TRP . 2.0 mm -63.67 -41.37 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 30.5 tt0 -63.92 -12.2 35.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -111.77 -29.47 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.721 ' OH ' HD13 ' A' ' 67' ' ' LEU . 2.4 m-85 -93.18 -72.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.714 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 10.4 t30 134.12 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER 157.75 43.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 13.3 p 74.62 62.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -177.97 60.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -63.47 -48.66 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.363 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.6 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 2.4 t0 -118.85 -69.44 0.85 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 152.35 62.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.598 ' HD3' ' H ' ' A' ' 62' ' ' GLU . 18.2 Cg_endo -74.99 -64.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.443 1.759 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.618 ' O ' ' CB ' ' A' ' 65' ' ' ILE . 2.4 tp 90.12 39.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.618 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER 154.99 -23.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.657 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -81.27 -28.93 34.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.721 HD13 ' OH ' ' A' ' 55' ' ' TYR . 60.2 mt -156.68 -41.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.736 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 1.8 t0 -61.18 -53.44 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -95.69 -15.4 22.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 2.5 t0 -73.4 -23.27 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.707 ' HB ' HD23 ' A' ' 17' ' ' LEU . 30.1 p -114.21 -39.91 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.359 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . -77.38 -49.19 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -73.96 -24.51 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.33 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.656 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -77.53 -56.59 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -62.04 -29.51 70.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 77.1 mttt -73.16 -67.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 81' ' ' MET . 11.3 mm100 -58.87 -14.89 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -78.91 -67.53 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 79' ' ' ARG . 8.5 ttp-105 -73.84 3.52 6.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 6.8 t70 -106.93 -34.65 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.441 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 24.7 mmm -107.37 -64.1 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.584 ' CE1' ' HG2' ' A' ' 86' ' ' LYS . 0.2 OUTLIER 167.41 40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.951 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.487 ' O ' ' CE ' ' A' ' 28' ' ' LYS . . . -97.88 -34.8 5.32 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.62 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 4.4 mt-30 -80.28 -48.88 12.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.779 . . . . 0.0 110.368 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.679 ' HG3' HD11 ' A' ' 87' ' ' LEU . 4.6 tp10 170.55 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 88.08 28.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.679 HD11 ' HG3' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -118.42 39.76 3.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER -40.43 -28.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' LEU . 4.4 mt-10 -49.64 -38.44 32.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 94' ' ' ILE . 17.8 mttp -117.44 -26.23 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -72.43 -21.76 61.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 96' ' ' LYS . 27.6 t30 -70.71 -29.42 65.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.512 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 10.0 p -85.57 -36.93 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.34 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.988 HG21 ' HB3' ' A' ' 36' ' ' GLN . 1.1 pp -71.45 -40.71 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 91' ' ' LEU . 7.2 tp -75.06 -46.39 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.609 ' O ' ' CB ' ' A' ' 100' ' ' SER . 4.6 tttt -65.78 -24.9 67.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 93' ' ' THR . 33.4 tt0 -79.02 -40.49 31.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.415 1.072 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.675 HG23 HD12 ' A' ' 48' ' ' LEU . 1.6 mp -79.29 -9.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.503 HD12 HG22 ' A' ' 98' ' ' ILE . 8.3 mp -110.88 -17.93 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 23.2 t -105.81 -7.63 18.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.929 HG22 HG13 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -63.17 -5.07 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.7 t 96.6 26.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.929 HG13 HG22 ' A' ' 101' ' ' ILE . 13.7 m -116.37 -27.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.487 ' CB ' ' HG ' ' A' ' 99' ' ' LEU . 4.8 t -117.33 -35.83 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -60.76 -25.63 66.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -76.54 -13.16 60.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.62 55.12 2.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 66.71 37.23 4.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.777 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.6 70.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 63.66 -87.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.7 tp -158.85 -71.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.5 m -136.03 155.26 77.78 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.52 4.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.434 1.755 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.227 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.47 ' HB2' ' CG1' ' A' ' 15' ' ' ILE . 24.9 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 p -81.05 -97.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -115.48 -39.69 3.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -48.4 -67.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -102.68 -154.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.59 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.8 OUTLIER -114.83 -43.46 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.59 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 155.11 -19.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.661 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.483 ' N ' ' CD2' ' A' ' 10' ' ' HIS . 0.0 OUTLIER 66.48 45.95 2.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.625 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.596 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 4.2 tpt180 74.33 27.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.593 1.183 . . . . 0.0 110.251 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 16.9 mttt 68.39 32.57 4.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.374 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.691 ' CZ3' ' CD1' ' A' ' 52' ' ' ILE . 5.4 t90 -74.09 -59.08 2.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 108.024 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' ND1' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -69.79 -33.09 71.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.542 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 9.1 mt -67.02 -35.01 73.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.515 ' HG ' ' CE ' ' A' ' 44' ' ' MET . 3.1 tm? -86.27 -28.28 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.592 HD13 HG22 ' A' ' 71' ' ' THR . 0.4 OUTLIER -83.38 -8.36 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -114.8 -21.99 9.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 15' ' ' ILE . 9.4 mmmt -92.17 -46.54 7.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.489 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 54.4 m -90.06 -63.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 17' ' ' LEU . 2.5 p -83.66 34.45 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.9 16.66 1.39 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.928 HG11 ' HB2' ' A' ' 27' ' ' MET . 0.0 OUTLIER -113.1 -39.3 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.63 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER 82.35 41.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.63 ' CB ' ' O ' ' A' ' 24' ' ' MET . 16.0 tt0 97.47 -7.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.635 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -75.66 -18.11 59.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.928 ' HB2' HG11 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -160.84 19.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.576 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 1.1 ttpm? -116.18 -16.46 10.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.9 p -91.1 52.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 m -56.17 -54.36 46.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 0.0 110.445 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -177.9 33.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' CA ' ' HB3' ' A' ' 35' ' ' GLU . 1.3 mp0 62.88 -74.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -57.46 -36.38 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -93.84 -24.59 17.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.576 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 1.8 tt0 -60.7 -24.69 65.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.704 ' HB2' HG21 ' A' ' 94' ' ' ILE . 7.0 pt20 -114.37 -33.96 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 57.2 tp -70.87 -71.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 3.2 m -60.49 -17.97 48.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 3.1 m -90.38 -14.71 32.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.754 ' O ' HD12 ' A' ' 41' ' ' ILE . . . -123.08 3.25 9.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 40' ' ' ALA . 1.6 mp -122.22 -44.37 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.632 ' C ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t0 -20.03 -71.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.571 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 19.7 mtt85 -135.34 -5.75 2.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.608 1.192 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.756 ' CG ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -76.76 -18.94 58.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.754 ' HA ' HD11 ' A' ' 98' ' ' ILE . 6.0 t-20 -50.32 -90.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -87.91 -15.68 35.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.625 ' O ' ' HB2' ' A' ' 51' ' ' PHE . . . -72.02 -40.61 56.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.756 HD13 ' CG ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -80.75 -55.21 4.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 47.9 t0 -48.28 -37.43 16.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -76.99 -74.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.374 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.625 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 8.3 m-85 -45.7 -55.6 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.919 HG23 ' CA ' ' A' ' 57' ' ' GLU . 35.8 mm -52.93 -43.56 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 18.2 tt0 -63.84 -11.44 27.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.93 -13.02 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.376 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -98.98 -73.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.62 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER 164.16 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.218 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.919 ' CA ' HG23 ' A' ' 52' ' ' ILE . 1.6 pt-20 96.13 -6.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.274 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.603 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 28.3 m -125.26 -15.14 6.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.603 ' CB ' ' O ' ' A' ' 58' ' ' SER . 1.3 tp10 94.35 77.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.407 1.067 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' A' ' 68' ' ' ASP . 4.7 mm -136.33 15.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.402 ' HB2' ' HA ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -103.3 -36.28 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.676 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -91.5 -57.63 0.24 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.676 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.3 Cg_endo -74.97 -75.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.596 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 1.2 tp 96.32 -6.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.55 HG22 ' C ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER 165.87 42.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.608 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -172.4 54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER 155.81 -12.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.648 ' HB2' HD11 ' A' ' 60' ' ' ILE . 33.7 t0 -61.81 -51.19 69.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -87.26 -20.66 26.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -17.58 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.592 HG22 HD13 ' A' ' 17' ' ' LEU . 14.2 m -115.91 -41.75 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -65.65 -39.1 91.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 28.3 tt0 -67.82 -20.12 65.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 9.3 mt -78.63 -55.67 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.477 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 2.5 ptm -74.37 -21.23 59.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 72' ' ' ALA . 3.3 ttmt -85.66 -63.85 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 18.9 tt0 -54.76 -27.34 40.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.654 ' HA ' ' CE1' ' A' ' 82' ' ' TYR . . . -83.71 -56.21 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.646 ' HD3' HG21 ' A' ' 95' ' ' ILE . 11.2 ttp180 -71.09 2.33 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 61.3 t0 -115.27 -37.97 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.647 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 4.7 tpt -68.84 -59.28 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.593 1.183 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.654 ' CE1' ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -123.17 -24.39 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.06 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.753 ' O ' HD23 ' A' ' 91' ' ' LEU . . . 111.23 39.87 1.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.555 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 8.2 tt0 83.45 7.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.676 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 168.71 -49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.676 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 8.9 tttt 148.95 28.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.623 ' HB2' HD13 ' A' ' 91' ' ' LEU . 7.9 mt -130.94 26.39 4.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.373 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 8.3 p30 -39.39 -29.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -52.81 -37.65 60.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' LEU . 65.5 mttt -116.68 -28.98 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 83' ' ' GLY . 2.2 mp -70.64 -49.05 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 41.5 t-20 -52.72 -29.21 25.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -85.87 -29.68 23.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 36' ' ' GLN . 2.3 tp -71.41 -37.63 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.646 HG21 ' HD3' ' A' ' 79' ' ' ARG . 9.5 mm -83.37 -38.3 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 100' ' ' SER . 75.8 tttt -71.2 -23.54 62.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 93' ' ' THR . 14.7 tt0 -85.07 -42.85 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.754 HD11 ' HA ' ' A' ' 45' ' ' ASN . 2.4 tp -68.8 -19.97 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.632 HD12 HG23 ' A' ' 98' ' ' ILE . 4.2 mp -100.46 -27.26 13.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 31.3 t -84.93 -13.76 49.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 110.045 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.613 ' O ' ' CB ' ' A' ' 102' ' ' SER . 4.3 tp -62.76 -11.35 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.1 m 149.02 38.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.629 HG11 HG21 ' A' ' 52' ' ' ILE . 1.4 t -146.83 8.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.57 ' O ' ' C ' ' A' ' 105' ' ' GLU . 16.2 m -116.16 -47.82 2.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.605 ' O ' ' N ' ' A' ' 107' ' ' GLY . 6.4 tp10 -24.08 -52.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 105' ' ' GLU . 1.2 tm-20 29.33 36.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 105' ' ' GLU . . . 65.45 -54.44 0.13 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 6.4 mt-10 -94.84 -19.47 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.1 OUTLIER 95.61 -65.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 173.97 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -151.08 128.2 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 111' ' ' LEU . 0.9 OUTLIER 163.84 -52.05 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.95 137.51 21.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 111.044 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' ' CD1' ' A' ' 15' ' ' ILE . 48.4 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -54.57 -66.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.94 -72.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.69 -64.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 50.02 -172.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.24 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.576 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -116.21 -75.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.62 ' CD2' ' CG ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -40.72 -28.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.64 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.447 ' N ' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.02 -22.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 6.5 tpt180 -39.89 -28.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 8.6 mttt 159.16 -20.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 1.023 ' CZ3' ' CE1' ' A' ' 51' ' ' PHE . 1.1 t90 -69.13 -47.67 64.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 108.001 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.62 ' CG ' ' CD2' ' A' ' 9' ' ' HIS . 6.0 t0 -69.65 -30.42 68.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 11.9 mm -72.86 -40.44 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.607 ' HG ' ' CB ' ' A' ' 43' ' ' ARG . 1.3 tm? -75.24 -33.29 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.391 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.857 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -80.45 -18.32 49.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 5.2 mm-40 -96.69 -13.77 22.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.242 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.933 ' O ' HG22 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -104.55 -68.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.482 ' N ' ' SD ' ' A' ' 27' ' ' MET . 38.7 m -51.85 -89.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.744 HG21 ' OE1' ' A' ' 84' ' ' GLN . 1.6 p -69.48 0.74 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.444 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' HA3' ' C ' ' A' ' 18' ' ' GLU . . . -77.84 -15.67 80.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.617 1.198 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.933 HG22 ' O ' ' A' ' 19' ' ' LYS . 3.4 m -127.85 -50.31 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 0.798 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.511 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 3.4 ttp 81.85 22.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 177.66 -40.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.841 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -54.1 -20.43 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 20' ' ' SER . 6.2 ptm -162.24 10.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HE2' HG23 ' A' ' 21' ' ' THR . 2.2 tptp -92.76 -11.44 33.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.0 p -101.89 33.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -80.65 54.27 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.3 OUTLIER 79.93 -5.66 1.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER 74.35 -54.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.549 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 15.5 mt-10 -57.71 -41.2 81.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.66 -21.24 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.682 ' OE2' HD11 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -66.6 -17.32 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.697 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.4 pt20 -120.92 -32.08 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 33' ' ' GLU . 81.1 mt -74.6 -66.95 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.563 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.7 m -66.26 -14.44 61.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -95.04 -14.75 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -121.66 6.44 9.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.564 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -131.18 -44.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' A' ' 38' ' ' SER . 4.7 t0 -78.01 2.61 17.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.632 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 5.5 mpt_? -132.64 -41.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.986 ' HB2' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -64.86 -27.75 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 41' ' ' ILE . 4.2 m-80 -43.74 -87.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 3.0 mt-10 -93.35 -15.42 25.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.632 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -72.14 -38.04 59.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.986 HD22 ' HB2' ' A' ' 44' ' ' MET . 3.3 mp -87.02 -50.6 6.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' O ' HD12 ' A' ' 52' ' ' ILE . 50.0 m-20 -53.37 -50.48 65.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 46' ' ' GLU . . . -70.42 -38.47 74.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 1.023 ' CE1' ' CZ3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -44.49 -47.41 10.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 111.063 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.729 HG13 ' CD2' ' A' ' 51' ' ' PHE . 0.5 OUTLIER -70.2 -45.56 75.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' C ' HD22 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.73 -2.09 18.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' ALA . 4.3 mm? -122.87 -14.83 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.689 ' CZ ' ' HA ' ' A' ' 58' ' ' SER . 0.6 OUTLIER -124.76 -72.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 8.9 m-20 147.35 -50.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.9 pt-20 164.19 39.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.689 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . 6.7 p 52.61 69.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.674 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 1.0 OUTLIER -168.91 47.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.748 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER 151.36 25.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.682 ' N ' ' CE1' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -31.8 -37.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.6 OUTLIER -177.71 -55.85 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.4 Cg_endo -75.03 -89.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 63' ' ' PRO . 0.3 OUTLIER 169.45 -42.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.3 tt -139.09 13.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.934 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -110.22 -9.19 14.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.934 HD22 ' O ' ' A' ' 66' ' ' GLN . 2.7 mm? -139.98 -38.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.452 ' CG ' ' HA ' ' A' ' 59' ' ' GLU . 4.4 t0 -61.32 -57.27 13.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -83.48 -12.84 55.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.375 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.406 ' HB2' ' C ' ' A' ' 66' ' ' GLN . 2.0 t0 -76.58 -29.13 56.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.3 m -98.86 -36.66 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.09 79.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 47.4 mt-10 -73.91 -21.23 60.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 110.285 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.434 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -75.03 -51.22 14.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.37 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.497 ' CE ' ' HB2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -72.22 -26.34 62.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -83.13 -59.62 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.562 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 7.0 tm0? -49.9 -42.08 47.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.615 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -72.79 -48.64 36.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -62.33 -7.87 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 64.0 t0 -112.72 -26.85 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.558 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 8.6 ptm -70.94 -27.6 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.605 ' CD1' ' HA ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 174.67 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.465 ' HA2' ' HA ' ' A' ' 79' ' ' ARG . . . 122.76 74.7 0.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.435 1.085 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.744 ' OE1' HG21 ' A' ' 21' ' ' THR . 0.9 OUTLIER 54.51 14.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.1 tt0 154.2 -52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER 154.56 41.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.998 ' HB3' HD12 ' A' ' 91' ' ' LEU . 15.6 tp -127.26 10.34 6.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.567 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -37.45 -32.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' LEU . 2.2 tt0 -46.79 -40.92 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.632 ' HB2' HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -123.08 -18.15 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.998 HD12 ' HB3' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -80.84 -27.99 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 54.3 t30 -64.37 -37.16 86.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -82.08 -37.83 25.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.494 HD13 ' NE2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -68.77 -39.88 80.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 91' ' ' LEU . 2.3 pp -71.49 -42.41 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 100' ' ' SER . 56.2 tttm -63.79 -29.08 70.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.99 ' O ' HG23 ' A' ' 101' ' ' ILE . 0.2 OUTLIER -83.21 -44.01 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.909 HG23 HD21 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -70.35 -12.81 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 95' ' ' ILE . 12.8 mt -109.23 -17.18 13.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 44.5 t -101.54 -9.32 21.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.99 HG23 ' O ' ' A' ' 97' ' ' GLN . 7.7 pt -63.04 -8.36 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.3 t 95.42 33.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.862 HG21 HD23 ' A' ' 48' ' ' LEU . 28.1 m -116.37 -35.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.1 t -114.61 -32.01 6.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 109' ' ' LYS . 32.1 mt-10 -79.38 -2.71 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.177 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -13.39 30.18 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 108' ' ' GLU . . . -83.54 49.46 4.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.578 1.173 . . . . 0.0 110.952 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.507 ' O ' HG12 ' A' ' 112' ' ' VAL . 4.1 tt0 81.19 44.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 105' ' ' GLU . 0.2 OUTLIER 43.06 64.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.51 -74.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 112' ' ' VAL . 0.1 OUTLIER -150.08 -50.11 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.709 HG13 ' O ' ' A' ' 112' ' ' VAL . 8.7 p 31.84 80.72 0.24 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.08 21.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' CG2' ' A' ' 15' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -70.45 -53.86 14.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -49.64 -65.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' PHE . 2.0 t80 -36.27 -61.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 177.77 -72.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' C ' ' CG ' ' A' ' 9' ' ' HIS . 39.6 mttm -120.57 -93.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.45 ' CG ' ' HG2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER 178.77 35.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 0.0 109.607 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 4.7 m80 47.65 49.06 16.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.578 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 6.3 mmt180 68.64 20.31 8.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.526 ' HA ' ' CG1' ' A' ' 15' ' ' ILE . 25.6 mttt 69.25 41.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.671 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -87.27 -53.43 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.097 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 17.3 t70 -69.98 -25.58 63.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.697 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -81.42 -42.16 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 20' ' ' SER . 1.9 tm? -62.66 -30.54 71.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.558 HD21 ' HB3' ' A' ' 75' ' ' MET . 4.9 tp -96.51 -20.71 18.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.572 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 9.7 tt0 -122.27 35.52 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.697 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -162.03 -35.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.739 ' HB3' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -96.1 -34.38 11.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 17' ' ' LEU . 14.5 p -122.58 62.49 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.48 32.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.159 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.605 ' CG2' ' HA ' ' A' ' 19' ' ' LYS . 37.9 t -124.1 -85.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.737 . . . . 0.0 109.338 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.642 ' SD ' ' HB2' ' A' ' 26' ' ' ALA . 4.0 ptm -128.38 -11.77 5.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.943 ' O ' HG12 ' A' ' 29' ' ' VAL . 1.4 mt-10 95.12 2.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.354 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.642 ' HB2' ' SD ' ' A' ' 24' ' ' MET . . . -60.76 -18.4 54.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.425 ' CE ' ' HB3' ' A' ' 26' ' ' ALA . 1.7 mpp? -123.0 -11.19 8.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.57 ' CG ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -98.71 -15.8 19.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.943 HG12 ' O ' ' A' ' 25' ' ' GLU . 1.5 p -119.35 27.98 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.6 m -59.01 85.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER 49.17 20.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.519 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 12.5 mt-10 64.82 -66.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 110.323 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.1 mt-10 -47.3 -42.76 21.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -93.18 -19.26 21.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.859 ' OE2' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -60.14 -24.85 65.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.873 ' HB2' HG21 ' A' ' 94' ' ' ILE . 2.8 pp0? -119.64 -34.01 3.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.821 ' HG ' HD12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -69.21 -62.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 18.0 m -71.29 -16.85 62.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 2.1 m -91.82 -13.08 32.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -120.1 2.64 10.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.821 HD12 ' HG ' ' A' ' 37' ' ' LEU . 60.1 mt -122.26 -40.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -22.44 -72.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.593 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 11.1 mmt180 -128.29 -6.94 5.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.661 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 10.7 mtt -68.27 -17.65 64.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 9.8 t30 -58.24 -91.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -80.87 -17.09 51.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.649 ' O ' ' CG ' ' A' ' 51' ' ' PHE . . . -74.68 -43.63 28.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.672 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -64.69 -41.0 96.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.346 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.483 ' O ' HG22 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -63.68 -41.65 98.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.353 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -81.87 -71.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.671 ' HB3' ' CE3' ' A' ' 13' ' ' TRP . 22.1 m-85 -34.45 -43.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.672 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -64.59 -49.47 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 50' ' ' ALA . 4.1 tt0 -68.85 -6.63 28.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.6 -33.65 8.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.629 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 77.9 m-85 -121.79 -64.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.629 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 7.7 t30 145.24 -13.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.663 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 3.1 tp10 75.48 23.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.493 ' OG ' ' HB2' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -132.21 -32.02 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.643 ' C ' HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -112.08 -50.05 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.262 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.793 ' N ' HD12 ' A' ' 60' ' ' ILE . 1.8 mp 73.0 2.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.718 ' OD1' HD13 ' A' ' 67' ' ' LEU . 10.4 t70 -97.21 -62.07 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.582 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER 153.58 -59.48 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.743 ' O ' HD23 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 63' ' ' PRO . 0.2 OUTLIER 93.04 35.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.7 mm -113.66 -12.74 11.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.882 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -154.45 56.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.882 HD12 ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER 173.65 -20.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.198 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.597 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 30.1 t0 -60.42 -56.32 22.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 1.1 t70 -83.97 -20.78 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.44 ' CB ' ' HA ' ' A' ' 67' ' ' LEU . 1.2 t0 -68.55 -26.24 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 m -112.36 -48.32 3.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.597 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -55.01 -44.64 74.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -66.4 -16.19 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -55.41 5.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.558 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -77.26 -22.11 52.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 5.4 mmtp -82.7 -59.96 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.577 ' O ' ' CG ' ' A' ' 81' ' ' MET . 31.7 tt0 -54.67 -39.92 68.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.714 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -69.67 -58.99 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -67.56 -0.79 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 12.1 t0 -104.22 -40.72 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.577 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -58.27 -53.45 58.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -150.51 -5.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 111.008 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 84' ' ' GLN . . . 111.81 37.51 1.55 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.714 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 92.83 -34.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 110.287 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.524 ' CB ' ' HD2' ' A' ' 28' ' ' LYS . 8.5 tp10 -174.22 26.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.592 ' CG ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 79.21 36.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.859 HD22 ' OE2' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -122.77 6.03 9.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.571 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 6.5 t30 -41.74 -28.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -49.29 -39.05 29.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -123.11 -20.65 5.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.832 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -78.16 -28.85 48.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 55.4 t30 -68.89 -37.72 79.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 3.0 m -78.71 -35.55 44.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.873 HG21 ' HB2' ' A' ' 36' ' ' GLN . 25.8 mm -75.01 -36.78 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 91' ' ' LEU . 15.2 tt -74.9 -48.31 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.599 ' O ' ' CB ' ' A' ' 100' ' ' SER . 2.6 tttt -66.16 -26.13 67.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 93' ' ' THR . 15.1 tt0 -78.44 -42.81 28.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.469 HG21 ' SD ' ' A' ' 44' ' ' MET . 1.1 tp -73.62 -10.89 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.551 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -111.95 -12.72 13.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 70.7 m -110.96 -7.42 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.698 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.4 tp -61.21 -29.12 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 4.3 m 138.95 41.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.059 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.592 HG11 HD12 ' A' ' 48' ' ' LEU . 6.7 m -124.26 -46.36 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 99' ' ' LEU . 1.4 t -80.67 21.27 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 103' ' ' VAL . 0.3 OUTLIER 73.89 35.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 108' ' ' GLU . 1.4 tt0 -40.62 -34.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.28 -21.44 1.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 2.4 mt-10 -114.13 -72.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.623 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER 153.67 115.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 104' ' ' SER . 1.6 tt0 65.35 -78.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.514 HD23 ' CD ' ' A' ' 113' ' ' PRO . 0.5 OUTLIER -176.83 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 112' ' ' VAL . 91.6 t 65.1 65.76 0.93 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.514 ' CD ' HD23 ' A' ' 111' ' ' LEU . 18.2 Cg_endo -75.05 175.74 10.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.223 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.508 ' HB3' ' CB ' ' A' ' 12' ' ' LYS . 3.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.6 m -82.89 -78.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -92.51 -0.01 57.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.53 ' CD2' ' HD2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -79.48 -43.95 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' CG ' ' C ' ' A' ' 6' ' ' PHE . 2.2 pt-20 41.0 80.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' HD2' ' CD2' ' A' ' 6' ' ' PHE . 4.9 mtpt -122.2 -70.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 49.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.611 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.584 ' CE1' ' HA2' ' A' ' 47' ' ' GLY . 28.7 m80 56.24 67.77 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.546 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER 66.84 15.38 10.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.581 ' O ' ' N ' ' A' ' 15' ' ' ILE . 2.5 tttt 69.21 94.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.973 ' CE3' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -47.44 -35.11 8.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 10.3 t70 -61.55 -26.32 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -76.65 -37.0 28.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.36 -32.55 58.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.812 HD12 ' HB ' ' A' ' 21' ' ' THR . 55.1 tp -84.04 -19.81 33.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 5.1 tm-20 -95.39 -18.7 20.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -91.89 -34.15 14.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.52 ' HA ' ' CB ' ' A' ' 27' ' ' MET . 47.2 t -93.74 -71.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.064 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.812 ' HB ' HD12 ' A' ' 17' ' ' LEU . 63.2 m -84.28 24.2 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.96 -5.11 4.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 26' ' ' ALA . 3.7 t -122.25 -41.13 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.427 ' HE3' ' N ' ' A' ' 24' ' ' MET . 0.0 OUTLIER 72.26 30.63 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.847 ' HA ' HG23 ' A' ' 29' ' ' VAL . 14.3 tt0 -178.11 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.881 ' HB2' HG11 ' A' ' 23' ' ' VAL . . . -64.85 -24.65 67.61 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.52 ' CB ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -156.03 15.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.57 ' HE3' ' CG ' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -110.39 -16.66 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.388 1.055 . . . . 0.0 109.275 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.847 HG23 ' HA ' ' A' ' 25' ' ' GLU . 55.2 t -99.11 46.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.497 HG23 ' HA ' ' A' ' 35' ' ' GLU . 4.0 t -132.39 71.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.797 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.3 m 55.93 102.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.6 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -25.27 -73.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.9 ' O ' HD13 ' A' ' 37' ' ' LEU . 5.4 mt-10 -45.9 -35.16 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.752 ' N ' ' O ' ' A' ' 31' ' ' SER . 6.5 mttt -89.06 -24.69 22.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.364 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.797 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -58.67 -17.56 23.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.502 ' HA ' HG22 ' A' ' 39' ' ' THR . 1.8 tp60 -121.56 -35.69 3.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.9 HD13 ' O ' ' A' ' 33' ' ' GLU . 11.0 mp -69.34 -64.54 0.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -23.28 67.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -80.93 -19.03 45.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.581 ' CB ' HG23 ' A' ' 98' ' ' ILE . . . -121.96 5.73 9.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 1.031 HG23 ' OD1' ' A' ' 45' ' ' ASN . 60.5 mt -109.27 -43.81 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.599 ' C ' ' O ' ' A' ' 41' ' ' ILE . 8.7 t70 -24.01 -64.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -137.43 -7.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.646 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -77.81 -18.29 56.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 1.031 ' OD1' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -46.2 -77.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -88.51 -22.83 23.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 10' ' ' HIS . . . -72.45 -44.79 40.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.941 HD22 ' O ' ' A' ' 99' ' ' LEU . 1.3 tt -68.86 -51.21 42.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 0.805 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -55.51 -34.84 64.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.239 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.452 ' HB3' ' HE1' ' A' ' 10' ' ' HIS . . . -74.58 -72.56 0.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.973 ' CE1' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -46.55 -51.39 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.804 ' HB ' HD23 ' A' ' 48' ' ' LEU . 2.0 tt -54.26 -42.22 55.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' CD ' ' CG1' ' A' ' 103' ' ' VAL . 1.7 tt0 -78.86 -2.5 40.09 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -112.11 -15.96 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.616 ' CE1' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -121.27 -71.19 0.74 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.614 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 1.4 m120 150.85 -18.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.614 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.0 OUTLIER 95.18 10.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.8 m -174.14 33.6 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.616 ' O ' ' CE1' ' A' ' 55' ' ' TYR . 4.9 tt0 -136.35 39.29 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.258 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.687 ' CG1' ' CZ3' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -70.04 -46.43 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.736 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 28.8 t0 -61.6 -48.49 80.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.391 1.057 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.736 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 12.0 tt0 110.68 -52.01 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.4 Cg_endo -74.95 -42.98 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER 76.58 41.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 65' ' ' ILE . 2.6 mt -130.61 2.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -172.03 63.52 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 110.384 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 66' ' ' GLN . 3.5 mt 161.46 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.568 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.5 t70 -64.91 -45.59 85.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.3 m-20 -84.8 -17.69 37.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.5 -34.41 70.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.6 m -101.23 -33.85 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -68.88 -30.89 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.362 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 22.8 tt0 -63.41 -24.01 67.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 52.1 mt -86.09 -57.06 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -61.67 -29.09 69.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 50.0 mtpt -82.33 -62.05 1.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.554 ' O ' ' HB3' ' A' ' 81' ' ' MET . 37.5 tt0 -53.55 -29.54 37.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.592 ' CB ' ' CG2' ' A' ' 21' ' ' THR . . . -80.01 -57.63 3.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.606 ' HA ' ' CA ' ' A' ' 83' ' ' GLY . 1.3 ttp180 -72.76 5.87 2.89 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 21.6 t0 -116.72 -45.14 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.554 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.14 -32.2 71.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.595 ' CG ' ' HA ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 176.29 30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.655 ' O ' ' HB2' ' A' ' 84' ' ' GLN . . . 86.54 -29.96 4.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.655 ' HB2' ' O ' ' A' ' 83' ' ' GLY . 0.0 OUTLIER 164.27 -14.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -172.63 -40.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.615 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER 154.84 39.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.769 ' HB2' HD13 ' A' ' 91' ' ' LEU . 15.2 mt -128.31 -2.82 5.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 87' ' ' LEU . 14.9 p-10 -32.98 -39.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 87' ' ' LEU . 12.6 pt-20 -42.18 -46.89 4.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -121.39 -12.82 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.769 HD13 ' HB2' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -79.09 -19.64 50.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -59.82 -43.05 94.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.496 ' O ' ' CG ' ' A' ' 97' ' ' GLN . 5.9 p -88.82 -29.42 19.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.423 ' O ' ' HB ' ' A' ' 98' ' ' ILE . 1.2 mp -74.42 -29.27 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 91' ' ' LEU . 10.2 tt -77.58 -45.26 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.552 ' HB2' HD13 ' A' ' 111' ' ' LEU . 7.9 pttp -72.42 -20.42 61.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.621 ' O ' ' CA ' ' A' ' 101' ' ' ILE . 77.4 mt-30 -89.74 -43.03 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.901 HD11 ' CG1' ' A' ' 41' ' ' ILE . 3.7 tp -81.45 -8.77 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 48' ' ' LEU . 4.4 tt -97.05 -41.83 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.659 ' O ' HG22 ' A' ' 101' ' ' ILE . 0.4 OUTLIER -126.93 -32.45 2.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.673 HG22 HG23 ' A' ' 103' ' ' VAL . 0.4 OUTLIER 61.99 20.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.57 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 1.4 t 91.45 18.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.673 HG23 HG22 ' A' ' 101' ' ' ILE . 82.4 t -98.19 -11.88 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.618 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 0.3 OUTLIER -67.42 -6.39 19.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.952 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.618 ' CB ' ' O ' ' A' ' 104' ' ' SER . 25.5 tt0 96.36 17.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 72.23 -50.62 0.7 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 43.74 25.7 0.63 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 58.26 42.59 21.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.555 0.797 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt 58.19 35.43 25.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.88 -54.57 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -40.87 -66.36 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.1 m -125.09 92.28 47.73 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -50.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.438 1.757 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.451 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 16.6 t . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.524 HG23 ' HD1' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -65.84 -35.37 80.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.456 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.524 ' HD1' HG23 ' A' ' 4' ' ' THR . 11.1 m-85 -119.62 -87.4 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -122.08 -64.68 1.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.451 ' HB2' ' N ' ' A' ' 3' ' ' CYS . 20.1 mp0 52.95 176.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.06 -56.68 1.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.603 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 6.1 m-70 -102.54 -38.22 7.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -47.61 -32.9 6.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.536 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.861 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -99.98 31.18 3.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' O ' HG22 ' A' ' 15' ' ' ILE . 6.5 mmtt -124.91 -63.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.691 ' CH2' HG22 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -71.15 -69.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 107.924 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -47.03 -32.62 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.861 HD13 ' HA ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -70.21 -37.55 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -74.39 -35.84 63.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.578 HD23 ' CG2' ' A' ' 71' ' ' THR . 10.1 tp -81.16 -14.55 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 2.6 mm-40 -103.53 -9.72 19.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HA ' HG23 ' A' ' 23' ' ' VAL . 2.6 mtpt -109.64 -66.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.676 ' OG ' HG23 ' A' ' 39' ' ' THR . 47.8 m -55.75 -91.49 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.541 1.151 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.42 ' CG2' HD12 ' A' ' 17' ' ' LEU . 7.1 t -85.47 29.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 110.354 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -119.49 -14.13 5.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.638 HG11 ' HB2' ' A' ' 26' ' ' ALA . 3.2 t -124.79 -41.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.184 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.526 ' HB3' ' O ' ' A' ' 23' ' ' VAL . 3.8 ttp 81.13 29.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.843 ' O ' HG12 ' A' ' 29' ' ' VAL . 27.9 tt0 -179.57 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.638 ' HB2' HG11 ' A' ' 23' ' ' VAL . . . -61.5 -25.44 67.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.465 ' CB ' ' HA ' ' A' ' 20' ' ' SER . 1.2 mmt -152.21 14.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.742 ' CE ' HD13 ' A' ' 87' ' ' LEU . 9.2 tptt -114.01 -12.43 12.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.843 HG12 ' O ' ' A' ' 25' ' ' GLU . 1.7 p -107.95 46.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.659 ' O ' ' CB ' ' A' ' 31' ' ' SER . 18.1 m -112.42 -24.9 9.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.73 ' O ' ' N ' ' A' ' 34' ' ' LYS . 2.9 m 144.9 109.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 31' ' ' SER . 1.1 mt-10 -29.94 -64.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.889 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -47.25 -31.62 3.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.73 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -94.67 -27.09 16.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.681 ' N ' ' O ' ' A' ' 31' ' ' SER . 22.7 mt-10 -71.05 -5.65 33.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.645 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 13.7 pt20 -123.72 -41.93 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.889 HD12 ' O ' ' A' ' 33' ' ' GLU . 1.4 mt -84.98 -56.17 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 3.8 m -69.84 -18.97 63.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.676 HG23 ' OG ' ' A' ' 20' ' ' SER . 16.6 m -92.39 -22.58 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.842 ' HB1' HG21 ' A' ' 98' ' ' ILE . . . -107.95 1.2 22.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.592 ' O ' ' C ' ' A' ' 42' ' ' ASP . 4.1 mm -120.4 -44.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -24.72 -69.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.602 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -131.51 -15.86 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.694 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 15.0 mtt -70.54 -20.53 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.436 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 3.3 t-20 -52.93 -86.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 2.1 tt0 -84.03 -20.65 32.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.7 ' O ' ' HB2' ' A' ' 51' ' ' PHE . . . -69.87 -53.42 15.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.694 ' HB2' ' O ' ' A' ' 44' ' ' MET . 1.5 tp -62.05 -53.94 48.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.357 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 8.3 m-20 -49.25 -40.08 32.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -78.96 -75.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.7 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -37.09 -53.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.954 HG21 HG13 ' A' ' 103' ' ' VAL . 2.3 mm -59.36 -44.85 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 21.3 tt0 -65.37 -10.43 33.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -29.04 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CZ ' ' O ' ' A' ' 60' ' ' ILE . 9.6 m-85 -121.91 -68.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.791 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.7 OUTLIER 151.76 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.724 ' CA ' HD12 ' A' ' 52' ' ' ILE . 3.0 tm-20 98.0 37.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 36.1 m -158.17 -50.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.731 ' C ' HG23 ' A' ' 60' ' ' ILE . 1.2 pm0 -68.71 -58.31 4.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.731 HG23 ' C ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER 76.3 -9.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.563 ' CG ' HD11 ' A' ' 65' ' ' ILE . 11.6 t70 -148.27 -50.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 1.5 tt0 157.4 -59.78 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.715 ' O ' HD12 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 -80.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -168.32 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 65' ' ' ILE . 20.6 mm 73.52 13.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 59.59 21.22 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.459 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.0 OUTLIER -140.87 2.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.663 ' HB3' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -67.59 -27.43 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 15.6 m-20 -84.31 -20.73 31.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -78.96 -31.66 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.356 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.578 ' CG2' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -95.21 -38.75 10.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -67.69 -36.52 80.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 3.4 tt0 -73.26 -26.27 61.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.655 HD22 HE22 ' A' ' 84' ' ' GLN . 17.5 mt -70.41 -59.07 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.543 ' HB3' HD11 ' A' ' 17' ' ' LEU . 2.8 ptt? -66.61 -34.04 76.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' N ' ' HG3' ' A' ' 75' ' ' MET . 5.8 ttmm -71.48 -68.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 7.1 pt20 -51.94 -20.13 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.65 ' HB1' ' HB2' ' A' ' 84' ' ' GLN . . . -76.23 -80.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.417 1.073 . . . . 0.0 109.333 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.507 ' HA ' ' HA2' ' A' ' 83' ' ' GLY . 6.4 ptm180 -56.11 -6.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 78' ' ' ALA . 6.9 m-20 -88.66 -51.89 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.564 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -73.05 -58.82 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.564 ' CE2' ' HG2' ' A' ' 81' ' ' MET . 0.0 OUTLIER -167.59 21.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 87' ' ' LEU . . . 85.1 41.18 7.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.655 HE22 HD22 ' A' ' 74' ' ' LEU . 5.8 tp60 77.51 -17.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.757 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 86' ' ' LYS . 1.1 pm0 -179.26 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.83 ' O ' HD13 ' A' ' 91' ' ' LEU . 4.3 tttp -177.68 29.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.883 HD12 ' CD2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -91.68 34.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 4.0 t30 -122.64 -43.53 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -34.39 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -115.46 -10.75 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.883 ' CD2' HD12 ' A' ' 87' ' ' LEU . 1.3 mp -80.49 -17.69 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 20.3 t30 -64.44 -36.31 83.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 29.7 m -86.63 -35.88 19.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.392 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.766 ' O ' HG22 ' A' ' 98' ' ' ILE . 1.2 mp -70.8 -35.77 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.617 HD11 HD11 ' A' ' 87' ' ' LEU . 4.9 mm -81.9 -38.07 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 100' ' ' SER . 12.5 ttpt -74.35 -18.96 60.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 93' ' ' THR . 30.4 tt0 -88.68 -45.51 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.842 HG21 ' HB1' ' A' ' 40' ' ' ALA . 5.6 tp -66.24 -25.79 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.663 ' CD1' HG23 ' A' ' 98' ' ' ILE . 10.0 mp -91.23 -37.1 13.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 43.9 t -77.27 -10.47 59.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.607 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.4 OUTLIER -66.98 -11.4 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.607 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 4.4 p 147.96 46.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.954 HG13 HG21 ' A' ' 52' ' ' ILE . 1.6 t -147.21 -45.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.24 -32.3 15.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 104' ' ' SER . 1.2 tt0 -37.2 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -156.91 72.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 108' ' ' GLU . . . -83.32 22.4 7.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.622 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 4.9 tt0 90.03 6.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.622 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER 154.11 118.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 109' ' ' LYS . 2.7 tt0 159.16 77.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.2 mp 54.04 175.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 112' ' ' VAL . 3.1 p -177.7 64.43 0.19 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 112' ' ' VAL . 18.5 Cg_endo -75.0 -68.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.542 1.811 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 t -57.98 -35.53 71.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 0.0 110.42 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.5 -75.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 9.0 m-85 -115.15 -86.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER 167.78 70.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.77 -93.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 1.043 ' CE1' HD23 ' A' ' 54' ' ' LEU . 5.4 m170 -103.62 -17.31 15.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 109.61 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.537 ' CG ' ' OH ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -74.73 -23.08 58.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.538 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 20.24 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.398 1.061 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' N ' ' HB ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -141.88 -70.05 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.778 ' HE1' HD12 ' A' ' 48' ' ' LEU . 1.5 t90 -58.86 -71.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 107.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 25.7 t0 -54.5 -21.84 11.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.55 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 1.2 mm -77.41 -25.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' CD1' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -81.68 -30.19 32.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.911 HD11 ' HB3' ' A' ' 75' ' ' MET . 41.5 tp -95.37 -12.29 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.577 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 6.9 tt0 -106.22 -16.84 14.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 2.3 tttt -115.16 -20.78 10.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.615 ' CA ' ' HB3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -121.34 60.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.988 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.786 HG23 HG23 ' A' ' 23' ' ' VAL . 1.1 t -122.86 19.18 10.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.511 ' N ' ' HG2' ' A' ' 27' ' ' MET . . . 84.41 -9.52 64.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.786 HG23 HG23 ' A' ' 21' ' ' THR . 42.9 t -76.95 -49.7 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.46 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 2.2 mpp? -83.53 -10.64 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.676 ' O ' HG12 ' A' ' 29' ' ' VAL . 0.1 OUTLIER 79.31 -3.38 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -67.85 -12.03 59.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.615 ' HB3' ' CA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -127.24 -3.27 6.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.98 -1.81 8.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -123.23 24.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 34' ' ' LYS . 9.0 m -110.17 27.63 9.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.419 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER 79.14 -0.39 2.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.6 mt-10 77.72 -52.36 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.48 -43.0 86.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.238 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' HB3' HG22 ' A' ' 30' ' ' THR . 8.4 mttp -82.03 -16.94 48.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.581 ' CG ' ' O ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -71.16 -45.6 63.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.925 ' CD ' HD13 ' A' ' 91' ' ' LEU . 13.7 mm-40 -80.14 -36.79 34.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.636 HD12 HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -59.28 -47.54 84.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.651 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 1.3 m -70.19 -46.58 64.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.81 HG22 ' HA ' ' A' ' 36' ' ' GLN . 1.3 t -68.16 -1.59 6.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HB2' ' CG2' ' A' ' 94' ' ' ILE . . . -120.52 -12.16 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.636 HD12 HD12 ' A' ' 37' ' ' LEU . 3.3 mt -128.77 -52.62 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.651 ' CB ' ' O ' ' A' ' 38' ' ' SER . 28.1 t0 -23.13 -68.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.658 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 14.9 mmt-85 -127.52 -11.32 5.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.369 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.971 ' HG3' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.22 -19.76 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.514 ' CG ' ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -63.11 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' H ' ' CG ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -79.01 -16.92 56.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.658 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -75.78 -37.83 38.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.971 HD13 ' HG3' ' A' ' 44' ' ' MET . 5.1 tp -68.14 -52.43 34.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.473 ' C ' HG22 ' A' ' 52' ' ' ILE . 2.5 m-20 -59.26 -39.96 84.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -74.63 -72.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.719 ' HB3' ' CE3' ' A' ' 13' ' ' TRP . 22.8 m-30 -41.11 -51.33 3.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.841 HG22 ' O ' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -52.94 -43.87 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . 43.2 tt0 -89.32 8.47 30.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.043 HD23 ' CE1' ' A' ' 9' ' ' HIS . 2.6 mp -117.83 -17.59 9.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.647 ' CE1' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -111.25 -64.66 1.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.627 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 3.6 m-20 156.92 -5.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.394 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.627 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.2 mt-10 96.59 80.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.5 m 156.81 -22.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.663 ' OE1' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 86.05 -7.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.59 HG22 HD23 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -158.07 16.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.501 ' CB ' ' HB3' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -40.9 -35.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 137.17 1.48 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 83.21 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.774 HD22 ' HB2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -95.46 -19.67 19.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 65' ' ' ILE . 0.9 OUTLIER 72.42 21.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' HG3' HD23 ' A' ' 64' ' ' LEU . 3.1 pt20 169.38 55.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.774 ' HB2' HD22 ' A' ' 64' ' ' LEU . 1.4 tp -169.35 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.199 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 24.7 t0 -66.95 -48.32 68.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.0 p30 -83.64 -20.52 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.467 ' O ' HD13 ' A' ' 74' ' ' LEU . 1.5 t0 -68.37 -33.51 74.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.472 ' HB ' ' CD1' ' A' ' 60' ' ' ILE . 1.2 m -102.21 -47.88 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -54.68 -41.04 69.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 10.1 tt0 -74.6 -17.18 60.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 70' ' ' ASP . 1.4 tp -71.97 -53.51 12.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.911 ' HB3' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.29 -21.35 49.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.81 -59.29 2.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 6.8 pt20 -56.99 -38.11 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.71 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -72.42 -61.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.575 ' HG3' HD13 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -51.98 -13.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 78' ' ' ALA . 11.3 t0 -103.93 -27.07 12.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 6.0 ptp -73.25 -17.42 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.588 1.18 . . . . 0.0 111.024 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 173.49 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.814 ' O ' HD23 ' A' ' 91' ' ' LEU . . . 135.21 45.08 0.1 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.71 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 2.9 tt0 77.09 -20.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.303 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 83' ' ' GLY . 5.7 tm-20 177.12 29.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 0.6 OUTLIER 70.86 41.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.446 HD23 ' HG2' ' A' ' 36' ' ' GLN . 57.8 tp -122.62 6.04 9.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 23.9 p-10 -51.45 -34.5 35.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -38.64 -41.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -121.42 -25.98 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.966 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.1 tp -67.38 -45.98 74.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 3.6 p30 -40.22 -33.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.219 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.471 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 53.4 m -84.02 -36.64 22.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.445 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.4 mm -71.64 -37.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.966 HG22 ' O ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -71.81 -44.89 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.615 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -65.02 -25.74 67.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.338 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -78.08 -45.13 24.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 48' ' ' LEU . 1.1 mp -75.25 -12.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.824 HD22 HG13 ' A' ' 95' ' ' ILE . 4.8 mp -105.03 -21.13 13.33 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.1 t -96.18 -10.08 28.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.878 HG22 HG22 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -60.32 -10.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 1.3 t 86.48 45.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.878 HG22 HG22 ' A' ' 101' ' ' ILE . 8.9 m -136.25 -51.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 3.5 t -43.9 -49.64 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.937 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 104' ' ' SER . 0.5 OUTLIER 155.53 40.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 1.067 . . . . 0.0 110.328 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -70.6 -50.66 34.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.4 49.34 3.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.494 ' OE2' ' CB ' ' A' ' 109' ' ' LYS . 1.5 pp20? -163.51 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 0.722 . . . . 0.0 110.36 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER 178.11 121.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER 88.67 102.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.29 -174.23 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 58.1 t -131.44 71.54 81.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.67 6.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.438 1.757 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.746 ' SG ' HD11 ' A' ' 15' ' ' ILE . 19.0 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 t -121.15 -0.1 10.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.96 -39.32 94.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -66.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.54 -81.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -100.45 -93.66 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.41 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -175.55 33.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 11' ' ' ARG . 5.4 m-70 42.72 45.75 4.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 109.524 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.604 ' HB2' ' CE2' ' A' ' 51' ' ' PHE . 0.4 OUTLIER 78.21 37.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 2.9 ptpp? 50.47 32.97 7.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.362 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.838 ' HB3' HG22 ' A' ' 60' ' ' ILE . 6.0 m0 -72.54 -46.28 55.24 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' ' HB ' ' A' ' 60' ' ' ILE . 29.2 t70 -78.1 -26.78 48.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.746 HD11 ' SG ' ' A' ' 3' ' ' CYS . 25.9 mm -75.81 -36.19 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 39' ' ' THR . 1.9 tm? -80.67 -36.23 32.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.672 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -74.15 -24.78 59.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -94.1 -22.28 18.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HD2' HG22 ' A' ' 15' ' ' ILE . 11.9 mttt -76.78 -40.16 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.915 ' O ' HG22 ' A' ' 21' ' ' THR . 11.3 p -33.55 -59.86 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.936 HG23 ' H ' ' A' ' 23' ' ' VAL . 1.2 t 86.43 -39.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.87 -2.05 1.07 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.569 1.168 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.936 ' H ' HG23 ' A' ' 21' ' ' THR . 43.7 t -61.77 -24.71 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.653 ' CG ' ' O ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER 82.96 21.22 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.54 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.488 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -55.39 -16.32 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.509 ' N ' HG21 ' A' ' 21' ' ' THR . 0.0 OUTLIER 171.78 34.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.804 ' HG2' HG22 ' A' ' 21' ' ' THR . 10.3 mmmt -131.73 -0.08 3.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 29' ' ' VAL . 11.1 p -83.14 48.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.824 HG22 ' O ' ' A' ' 30' ' ' THR . 1.1 m -109.41 54.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER 72.05 10.54 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 3.7 mt-10 62.86 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.275 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.741 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -46.82 -37.51 8.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' CG ' ' OG ' ' A' ' 38' ' ' SER . 0.9 OUTLIER -88.66 -19.56 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -57.25 -28.4 62.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.909 ' HG3' HD11 ' A' ' 91' ' ' LEU . 1.4 mm-40 -117.09 -22.39 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.83 ' CD2' HG23 ' A' ' 94' ' ' ILE . 49.2 mt -85.41 -60.22 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.775 ' HA ' HG22 ' A' ' 41' ' ' ILE . 65.3 m -64.14 -19.33 65.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.597 HG21 ' O ' ' A' ' 35' ' ' GLU . 61.1 p -93.26 -26.14 17.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -107.72 3.1 24.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.775 HG22 ' HA ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -119.1 -36.25 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.562 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -27.7 -64.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -130.36 -12.51 3.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.705 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 4.2 mtt -72.56 -23.01 60.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.459 ' HB2' ' CD1' ' A' ' 41' ' ' ILE . 12.4 t30 -40.86 -83.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.571 1.17 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -85.29 -19.39 31.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 51' ' ' PHE . . . -69.9 -34.27 71.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.59 1.181 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.976 HD21 ' O ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -82.41 -58.21 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' O ' HG22 ' A' ' 52' ' ' ILE . 59.4 t0 -44.24 -36.83 2.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.81 -65.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 3.2 m-85 -50.05 -33.99 20.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.738 HD12 ' HG ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.31 -49.24 83.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.183 . . . . 0.0 109.336 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 9.1 tt0 -75.01 -2.47 27.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 tp -107.08 -27.55 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.632 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 6.3 m-85 -123.94 -73.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.606 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER 175.4 -56.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.655 ' HB2' ' CG1' ' A' ' 52' ' ' ILE . 3.9 tm-20 152.19 -12.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.841 ' O ' HD12 ' A' ' 67' ' ' LEU . 6.6 m -128.94 44.81 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.632 ' OE2' ' CE2' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -102.51 26.12 8.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.844 HD13 ' H ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -65.3 -42.93 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.844 ' H ' HD13 ' A' ' 60' ' ' ILE . 12.1 t0 -116.02 -55.15 2.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 45.0 78.02 0.42 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 18.3 Cg_endo -74.96 0.29 9.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.777 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 3.4 tp 85.82 2.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.38 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -96.12 -22.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.426 1.079 . . . . 0.0 109.243 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.823 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -175.34 -71.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.841 HD12 ' O ' ' A' ' 58' ' ' SER . 0.3 OUTLIER 89.67 -34.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.651 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.4 t70 -69.94 -45.39 67.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -82.64 -10.01 59.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.47 -34.58 63.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.805 ' OG1' HD12 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -110.56 -20.91 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.371 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.651 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -80.14 -32.99 38.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 29.7 tt0 -60.58 -30.04 69.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.487 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.29 -60.63 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.513 ' CG ' ' HA ' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -50.89 -31.96 19.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 14.0 mtpt -80.75 -51.77 8.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 81' ' ' MET . 27.9 tp60 -54.55 -25.43 25.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.913 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -87.47 -71.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.584 ' HA ' ' HA2' ' A' ' 83' ' ' GLY . 0.3 OUTLIER -48.12 -18.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 41.1 t0 -96.85 -38.59 9.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.546 ' CB ' ' O ' ' A' ' 77' ' ' GLN . 5.3 ttp -60.01 -19.26 51.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.602 ' CD2' ' HD2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 170.83 -21.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.956 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.584 ' HA2' ' HA ' ' A' ' 79' ' ' ARG . . . 129.99 28.38 0.73 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.913 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 26.5 tp60 74.75 -16.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 83' ' ' GLY . 0.2 OUTLIER 178.75 26.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.602 ' HD2' ' CD2' ' A' ' 82' ' ' TYR . 0.1 OUTLIER 63.45 34.37 12.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.528 ' C ' ' HB2' ' A' ' 91' ' ' LEU . 13.1 mt -122.84 1.76 9.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 87' ' ' LEU . 1.1 t30 -38.09 -38.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -43.01 -40.68 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -123.38 -2.83 8.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.909 HD11 ' HG3' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -84.69 -26.88 27.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -56.25 -45.05 80.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 t -88.82 -37.71 15.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.83 HG23 ' CD2' ' A' ' 37' ' ' LEU . 61.2 mt -64.26 -28.94 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.796 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -82.27 -47.45 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.222 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -60.72 -19.0 57.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.503 ' O ' ' CA ' ' A' ' 101' ' ' ILE . 2.3 mp0 -103.38 -49.39 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.626 ' HB ' ' O ' ' A' ' 94' ' ' ILE . 1.6 tp -79.97 -0.27 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.976 ' O ' HD21 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -121.61 -39.92 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.478 ' HB2' ' CB ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -112.7 -30.92 6.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER 60.55 16.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER 79.79 6.71 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 110.08 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.7 t -100.8 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 100' ' ' SER . 0.4 OUTLIER -112.28 -22.31 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -40.69 -31.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.391 1.057 . . . . 0.0 110.36 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.546 ' HB3' ' CB ' ' A' ' 109' ' ' LYS . 17.5 mm-40 66.79 5.29 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.75 -58.29 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 106' ' ' GLU . 2.0 tp10 -156.75 19.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.546 ' CB ' ' HB3' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -102.34 23.3 11.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -119.48 44.28 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.33 134.59 25.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 112' ' ' VAL . 45.8 t -143.16 83.41 11.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 165.32 31.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.8 m -75.09 -78.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -78.28 -91.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 7' ' ' GLU . 43.3 p90 -121.52 -48.04 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.573 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.5 OUTLIER 49.89 -171.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.76 -77.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -131.4 27.19 4.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.563 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.504 ' CE1' ' HB ' ' A' ' 60' ' ' ILE . 11.2 m80 -70.86 -31.29 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.588 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.649 ' HA ' HD12 ' A' ' 15' ' ' ILE . 2.0 ptm180 -85.06 48.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.556 ' CA ' HG22 ' A' ' 15' ' ' ILE . 2.2 ptmm? 179.03 -65.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.917 ' CE2' ' CZ ' ' A' ' 51' ' ' PHE . 7.0 t90 -70.69 -55.84 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.783 ' HB2' HG21 ' A' ' 60' ' ' ILE . 26.8 t0 -74.47 -28.47 61.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 11' ' ' ARG . 1.6 tt -67.91 -34.85 69.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.07 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.651 ' O ' HD13 ' A' ' 16' ' ' LEU . 1.9 tm? -80.54 -33.91 35.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD23 ' CG2' ' A' ' 71' ' ' THR . 6.9 tp -86.46 -3.4 59.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 6.3 tm-20 -116.4 -17.21 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.579 ' O ' HG21 ' A' ' 23' ' ' VAL . 2.1 mtpp -114.75 -9.44 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -122.26 -69.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.622 ' CB ' HD12 ' A' ' 17' ' ' LEU . 44.7 m -76.87 51.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.446 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.46 21.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.579 HG21 ' O ' ' A' ' 19' ' ' LYS . 61.3 t -125.42 -43.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.542 ' O ' ' HE3' ' A' ' 24' ' ' MET . 1.1 ttp 71.69 5.58 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.544 ' HB2' HG12 ' A' ' 23' ' ' VAL . 2.2 mt-10 -113.49 -64.82 1.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' O ' HG21 ' A' ' 30' ' ' THR . . . -78.78 1.11 24.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.577 ' CE ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -119.42 -22.1 7.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.577 ' CB ' ' CE ' ' A' ' 27' ' ' MET . 1.3 tptt -121.98 -41.1 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' GLU . 84.0 t -92.44 63.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.636 ' O ' ' CB ' ' A' ' 31' ' ' SER . 1.4 p -128.65 -32.36 2.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 30' ' ' THR . 4.7 p 146.7 11.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 66.0 -71.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' SER . 12.6 pt-20 -48.86 -38.14 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 -21.56 19.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -66.7 -14.27 62.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.874 ' NE2' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -120.53 -37.4 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.91 -60.83 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.246 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.9 m -70.76 -14.88 62.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 1.9 m -93.12 -23.58 18.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.376 1.047 . . . . 0.0 110.387 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -109.88 1.76 19.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.61 ' O ' ' C ' ' A' ' 42' ' ' ASP . 25.0 mt -121.97 -41.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -21.83 -74.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.676 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.9 OUTLIER -131.47 -9.19 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.696 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 3.6 mtt -72.24 -21.28 61.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.498 ' CG ' HG23 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -57.94 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.669 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.5 mm-40 -85.69 -26.45 25.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.676 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -65.58 -43.4 94.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.736 HD23 HG11 ' A' ' 103' ' ' VAL . 1.1 tp -70.73 -45.19 65.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -72.49 -20.85 61.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . -81.46 -77.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.917 ' CZ ' ' CE2' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -40.18 -42.73 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.795 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -68.15 -46.77 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.54 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 13.0 tt0 -73.42 -2.87 24.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -119.35 -15.78 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.671 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -126.16 -68.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.62 43.04 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.671 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 1.3 tp10 -88.27 -24.16 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.233 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 2.3 m 91.08 -14.69 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -151.18 -72.54 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER 172.92 -65.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.527 ' HB2' ' CB ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -54.77 -71.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.57 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 3.2 pt-20 173.26 159.21 0.28 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 42.91 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.426 1.751 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.692 ' O ' HG22 ' A' ' 65' ' ' ILE . 45.9 tp -87.21 -17.75 31.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER 88.34 20.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.731 HE21 HD23 ' A' ' 67' ' ' LEU . 7.3 pt20 -107.2 -31.35 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.731 HD23 HE21 ' A' ' 66' ' ' GLN . 1.0 OUTLIER -127.38 -27.45 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.219 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.582 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -66.1 -34.2 77.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -87.79 -21.34 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -69.18 -40.24 78.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.817 ' CG2' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -88.07 -38.69 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.19 -31.38 70.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -69.27 -24.0 63.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 71' ' ' THR . 20.0 mt -71.33 -57.28 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.735 ' O ' HD11 ' A' ' 87' ' ' LEU . 4.3 ptm -66.46 -37.69 85.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -68.95 -52.08 32.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.565 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 32.4 tt0 -54.44 -26.62 31.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -70.53 -77.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.642 ' HB2' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -59.55 -7.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 3.8 t0 -80.05 -53.21 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 mmt -76.51 -29.78 56.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 178.14 -30.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.19 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.634 ' C ' ' HB2' ' A' ' 88' ' ' ASN . . . 92.0 -4.18 77.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 8.7 pt20 -37.48 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.243 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 83' ' ' GLY . 0.4 OUTLIER -49.5 -80.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.298 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.945 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.9 OUTLIER -147.83 -0.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.377 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -133.63 61.74 1.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.769 HD22 ' N ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -110.78 -113.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.769 ' N ' HD22 ' A' ' 88' ' ' ASN . 1.5 tt0 -74.33 -77.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.23 -20.78 33.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.874 HD22 ' NE2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -74.59 -35.76 62.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 3.0 t30 -55.17 -38.26 68.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.411 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . 50.7 m -72.11 -41.93 66.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.668 HG21 ' C ' ' A' ' 36' ' ' GLN . 42.6 mm -66.3 -37.36 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.945 HD11 ' HE3' ' A' ' 86' ' ' LYS . 8.5 mm -82.1 -29.72 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 100' ' ' SER . 2.1 ttpp -62.04 -34.03 75.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.626 1.204 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' O ' ' HB ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -83.38 -45.76 13.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.879 HG22 ' HA ' ' A' ' 95' ' ' ILE . 3.5 tp -70.98 -14.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -102.83 -29.86 11.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.1 t -87.11 -10.36 53.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.8 HG23 ' CG1' ' A' ' 103' ' ' VAL . 6.1 tp -65.67 -6.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 3.4 m 97.18 51.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 110.023 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.8 ' CG1' HG23 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -125.15 -39.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.489 ' CB ' ' CD1' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -123.6 -37.73 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.053 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 99' ' ' LEU . 0.6 OUTLIER -69.57 -16.51 63.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -125.98 13.98 7.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.72 -9.45 32.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 2.0 tt0 -171.99 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.235 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER 176.21 -82.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.23 46.97 1.04 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 111' ' ' LEU . 0.9 OUTLIER 44.02 -158.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.485 HG23 ' HD2' ' A' ' 113' ' ' PRO . 8.9 p -94.27 140.65 22.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.485 ' HD2' HG23 ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.01 100.69 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.551 1.816 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HB2' ' CB ' ' A' ' 11' ' ' ARG . 9.5 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m -98.4 -7.46 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -105.22 -77.51 0.58 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 7' ' ' GLU . 43.3 t80 -120.18 -64.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 6' ' ' PHE . 10.6 mm-40 -43.65 168.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -120.86 -75.58 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 12' ' ' LYS . 1.2 p-80 -98.42 -23.02 15.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.542 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.586 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 34.6 m-70 -56.53 -26.67 55.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.553 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.435 ' CB ' ' HB2' ' A' ' 3' ' ' CYS . 34.4 mtp180 -117.26 12.39 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 9' ' ' HIS . 20.4 tptt -95.24 -46.17 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.674 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -53.28 -37.76 62.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 108.019 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -75.04 -25.63 58.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.86 -34.3 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 20' ' ' SER . 2.8 tm? -77.47 -30.07 53.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.547 HD13 HG22 ' A' ' 71' ' ' THR . 0.8 OUTLIER -89.84 -16.29 30.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.538 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 3.0 tm-20 -97.4 -16.97 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.709 ' O ' HG22 ' A' ' 23' ' ' VAL . 35.2 mttt -103.61 -36.18 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 38.1 t -64.0 -63.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.658 HG21 ' NE2' ' A' ' 84' ' ' GLN . 3.7 p -121.96 40.11 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 18' ' ' GLU . . . -128.55 -1.9 5.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.853 HG21 ' HB3' ' A' ' 26' ' ' ALA . 12.2 m -125.09 -43.97 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 24' ' ' MET . 4.0 ttp 77.86 30.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.66 ' O ' HG12 ' A' ' 29' ' ' VAL . 0.0 OUTLIER 172.71 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.853 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -57.26 -16.52 8.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -166.27 22.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.518 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -120.99 -9.28 9.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.732 ' O ' HG13 ' A' ' 29' ' ' VAL . 4.5 p -120.99 54.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.367 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.663 ' O ' ' CB ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -107.25 -0.85 22.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 30' ' ' THR . 3.8 t 144.94 -14.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.515 ' CG ' HD13 ' A' ' 87' ' ' LEU . 0.5 OUTLIER 81.84 -69.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.244 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 7.1 mt-10 -69.84 -34.47 73.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -91.77 -22.1 20.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.619 ' O ' ' CG2' ' A' ' 39' ' ' THR . 6.7 tm-20 -78.29 -15.66 58.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.802 ' HG3' HG21 ' A' ' 94' ' ' ILE . 2.2 tp-100 -107.11 -36.96 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 11.7 tp -79.58 -57.67 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 1.8 m -55.11 -30.98 60.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.619 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 44.0 p -88.03 -21.87 24.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -82.76 -12.37 57.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -121.78 -31.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 38' ' ' SER . 2.6 m-20 -39.02 -71.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.09 -30.88 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.709 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.5 mmt -59.04 -24.05 62.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.605 1.191 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 10.3 t30 -58.87 -87.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.552 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.1 tp10 -82.12 -23.52 35.62 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 1.092 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.634 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -65.96 -41.62 95.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.738 HD12 ' C ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.82 -50.63 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 0.735 . . . . 0.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.512 ' C ' HG22 ' A' ' 52' ' ' ILE . 2.4 t0 -58.31 -33.85 69.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -80.28 -70.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.674 ' CD2' ' HB2' ' A' ' 13' ' ' TRP . 2.2 t80 -44.13 -39.53 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.62 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -64.79 -44.59 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -69.84 -9.25 54.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.68 -27.21 10.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.408 1.067 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.652 ' CE2' ' CB ' ' A' ' 61' ' ' ASP . 5.9 m-85 -120.93 -64.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 47.2 t-20 63.07 30.4 16.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.584 ' O ' ' CB ' ' A' ' 58' ' ' SER . 18.6 tp10 -129.64 -9.7 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 110.292 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.612 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.7 t 92.38 18.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.612 ' CB ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 95.77 55.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.583 ' CD1' ' C ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -85.07 -54.3 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.652 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . 1.4 t70 -35.82 -43.0 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.36 118.28 48.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 95.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -125.5 -70.08 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -140.25 -37.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.74 ' O ' ' HB3' ' A' ' 67' ' ' LEU . 3.6 tt0 176.56 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.142 HD22 ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER 161.77 -44.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 1.142 ' N ' HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -62.58 -64.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.589 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 99.3 m-20 -70.12 -29.48 66.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -48.97 -37.6 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.547 HG22 HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -122.43 -53.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.835 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . -46.24 -42.11 13.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.248 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.589 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.7 tt0 -58.79 -27.07 64.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -78.71 -55.21 5.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.51 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -70.63 -14.97 62.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 20.5 tttt -83.58 -52.12 6.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -58.95 -36.09 74.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.556 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -76.79 -52.66 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.645 ' HA ' ' C ' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -68.91 -3.53 13.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 10.0 t70 -113.88 -19.67 11.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 77' ' ' GLN . 1.3 tpp -98.55 -47.16 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.487 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 0.2 OUTLIER -129.74 -45.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.645 ' C ' ' HA ' ' A' ' 79' ' ' ARG . . . 157.0 -22.91 0.46 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.91 ' HB3' HD13 ' A' ' 91' ' ' LEU . 26.4 tp60 154.52 -30.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.777 . . . . 0.0 110.272 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.976 ' HB3' HD11 ' A' ' 91' ' ' LEU . 6.4 tm-20 -170.44 23.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.248 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 73.54 18.16 3.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.613 ' H ' HD12 ' A' ' 91' ' ' LEU . 12.0 tp -125.12 10.89 8.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.603 1.189 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.538 ' HB3' ' HA3' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -30.43 -44.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -39.45 -45.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -114.41 -15.53 12.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.976 HD11 ' HB3' ' A' ' 85' ' ' GLU . 2.2 mt -64.5 -45.47 87.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 96' ' ' LYS . 1.7 t30 -36.63 -34.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.22 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 91' ' ' LEU . 21.4 m -89.71 -37.97 14.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.802 HG21 ' HG3' ' A' ' 36' ' ' GLN . 2.0 mm -66.05 -41.32 89.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.911 HG22 ' O ' ' A' ' 91' ' ' LEU . 0.7 OUTLIER -77.21 -41.23 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.626 ' O ' ' CB ' ' A' ' 100' ' ' SER . 14.1 tttt -64.05 -26.94 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.82 ' O ' HD13 ' A' ' 101' ' ' ILE . 9.9 mm100 -84.17 -43.58 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.521 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 1.4 mp -81.86 0.86 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.534 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 2.2 tp -118.77 -23.35 7.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.626 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 23.3 t -99.02 -12.53 20.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.82 HD13 ' O ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -65.8 -6.82 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.616 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 3.4 m 95.16 39.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.569 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -111.86 -31.94 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.25 -52.62 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 106' ' ' GLU . 2.3 tt0 171.23 31.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.519 ' C ' ' O ' ' A' ' 105' ' ' GLU . 3.3 tp10 29.26 40.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 105' ' ' GLU . . . -102.45 53.51 0.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER 63.84 35.15 11.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 0.722 . . . . 0.0 110.263 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 1.7 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.562 ' CB ' ' HB3' ' A' ' 11' ' ' ARG . 35.5 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.5 m -68.62 -40.42 80.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' A' ' 6' ' ' PHE . 2.6 t80 -89.93 -90.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 1.065 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.518 ' N ' ' CG ' ' A' ' 5' ' ' PHE . 28.9 t80 -119.13 -67.75 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 1.2 mm-40 47.28 -174.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.097 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -111.8 -35.8 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.644 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 0.7 OUTLIER 158.61 -23.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.546 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 54' ' ' LEU . 4.9 m-70 -44.09 -34.31 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.385 1.053 . . . . 0.0 109.579 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -88.26 -26.38 22.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.355 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 9' ' ' HIS . 0.1 OUTLIER -46.78 -40.58 13.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.238 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.618 ' CH2' HD13 ' A' ' 52' ' ' ILE . 8.9 t90 -49.25 -36.21 19.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.006 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.606 ' OD1' HD22 ' A' ' 67' ' ' LEU . 16.3 m-20 -76.86 -26.55 54.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -63.45 -34.32 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.632 ' O ' HD13 ' A' ' 16' ' ' LEU . 2.6 tm? -85.76 -34.72 21.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.707 HD23 ' HB ' ' A' ' 71' ' ' THR . 1.1 tp -77.26 -7.36 55.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 23' ' ' VAL . 3.4 mt-10 -118.28 -21.23 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -96.83 -10.59 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 17.0 m -121.34 -41.75 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.837 HG22 ' O ' ' A' ' 21' ' ' THR . 1.1 m -123.88 44.92 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 18' ' ' GLU . . . -170.85 23.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.754 HG11 ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -124.92 -52.04 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 3.5 ttp 82.32 31.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.814 ' HA ' HG12 ' A' ' 29' ' ' VAL . 1.5 mt-10 163.8 -42.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB3' HG11 ' A' ' 23' ' ' VAL . . . -53.66 -24.75 15.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.448 1.092 . . . . 0.0 109.233 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.473 ' CE ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER 171.09 33.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.602 1.189 . . . . 0.0 110.952 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 84' ' ' GLN . 21.6 ttmt -118.59 -11.77 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.814 HG12 ' HA ' ' A' ' 25' ' ' GLU . 5.5 p -145.75 61.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.7 m -79.29 -60.13 2.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 110.338 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -156.94 22.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' HG2' HD13 ' A' ' 87' ' ' LEU . 3.8 mt-10 68.04 -63.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 3.3 tt0 -67.67 -35.76 79.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 38' ' ' SER . 1.1 mptt -90.36 -28.58 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.5 OUTLIER -72.04 -15.15 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.988 ' HB3' HG21 ' A' ' 94' ' ' ILE . 73.0 mt-30 -107.24 -39.36 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 15.6 tp -87.43 -61.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -53.46 -26.33 19.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.023 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -91.11 -26.04 19.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 0.0 110.428 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -85.24 -7.86 58.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.524 ' O ' ' C ' ' A' ' 42' ' ' ASP . 1.1 pt -123.67 -32.58 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -30.15 -73.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.615 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -116.88 -19.33 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.787 ' O ' HD22 ' A' ' 48' ' ' LEU . 8.6 mmt -60.98 -18.72 59.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -63.03 -86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.35 -12.41 59.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.657 ' O ' ' CG ' ' A' ' 51' ' ' PHE . . . -76.79 -47.69 9.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.09 HD23 ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -69.25 -35.64 76.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 1.09 ' N ' HD23 ' A' ' 48' ' ' LEU . 40.1 t0 -69.37 -40.73 77.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' ' 54' ' ' LEU . . . -79.75 -65.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.657 ' CG ' ' O ' ' A' ' 47' ' ' GLY . 21.5 m-30 -39.85 -53.46 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.618 HD13 ' CH2' ' A' ' 13' ' ' TRP . 2.0 mm -63.67 -41.37 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 30.5 tt0 -63.92 -12.2 35.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -111.77 -29.47 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.721 ' OH ' HD13 ' A' ' 67' ' ' LEU . 2.4 m-85 -93.18 -72.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.714 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 10.4 t30 134.12 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER 157.75 43.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 13.3 p 74.62 62.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -177.97 60.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -63.47 -48.66 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.363 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.6 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 2.4 t0 -118.85 -69.44 0.85 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 152.35 62.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.598 ' HD3' ' H ' ' A' ' 62' ' ' GLU . 18.2 Cg_endo -74.99 -64.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.443 1.759 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.618 ' O ' ' CB ' ' A' ' 65' ' ' ILE . 2.4 tp 90.12 39.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.618 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER 154.99 -23.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.657 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -81.27 -28.93 34.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.721 HD13 ' OH ' ' A' ' 55' ' ' TYR . 60.2 mt -156.68 -41.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.736 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 1.8 t0 -61.18 -53.44 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -95.69 -15.4 22.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 2.5 t0 -73.4 -23.27 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.707 ' HB ' HD23 ' A' ' 17' ' ' LEU . 30.1 p -114.21 -39.91 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.359 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . -77.38 -49.19 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -73.96 -24.51 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.33 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.656 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -77.53 -56.59 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -62.04 -29.51 70.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 77.1 mttt -73.16 -67.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 81' ' ' MET . 11.3 mm100 -58.87 -14.89 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -78.91 -67.53 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 79' ' ' ARG . 8.5 ttp-105 -73.84 3.52 6.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 6.8 t70 -106.93 -34.65 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.441 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 24.7 mmm -107.37 -64.1 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.584 ' CE1' ' HG2' ' A' ' 86' ' ' LYS . 0.2 OUTLIER 167.41 40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.951 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.487 ' O ' ' CE ' ' A' ' 28' ' ' LYS . . . -97.88 -34.8 5.32 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.62 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 4.4 mt-30 -80.28 -48.88 12.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.779 . . . . 0.0 110.368 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.679 ' HG3' HD11 ' A' ' 87' ' ' LEU . 4.6 tp10 170.55 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 88.08 28.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.679 HD11 ' HG3' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -118.42 39.76 3.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER -40.43 -28.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' LEU . 4.4 mt-10 -49.64 -38.44 32.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 94' ' ' ILE . 17.8 mttp -117.44 -26.23 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -72.43 -21.76 61.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 96' ' ' LYS . 27.6 t30 -70.71 -29.42 65.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.512 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 10.0 p -85.57 -36.93 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.34 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.988 HG21 ' HB3' ' A' ' 36' ' ' GLN . 1.1 pp -71.45 -40.71 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 91' ' ' LEU . 7.2 tp -75.06 -46.39 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.609 ' O ' ' CB ' ' A' ' 100' ' ' SER . 4.6 tttt -65.78 -24.9 67.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 93' ' ' THR . 33.4 tt0 -79.02 -40.49 31.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.415 1.072 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.675 HG23 HD12 ' A' ' 48' ' ' LEU . 1.6 mp -79.29 -9.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.503 HD12 HG22 ' A' ' 98' ' ' ILE . 8.3 mp -110.88 -17.93 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 23.2 t -105.81 -7.63 18.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.929 HG22 HG13 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -63.17 -5.07 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.7 t 96.6 26.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.929 HG13 HG22 ' A' ' 101' ' ' ILE . 13.7 m -116.37 -27.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.487 ' CB ' ' HG ' ' A' ' 99' ' ' LEU . 4.8 t -117.33 -35.83 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -60.76 -25.63 66.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -76.54 -13.16 60.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.62 55.12 2.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 66.71 37.23 4.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.777 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.47 ' HB2' ' CG1' ' A' ' 15' ' ' ILE . 24.9 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 p -81.05 -97.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -115.48 -39.69 3.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -48.4 -67.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -102.68 -154.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.59 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.8 OUTLIER -114.83 -43.46 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.59 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 155.11 -19.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.661 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.483 ' N ' ' CD2' ' A' ' 10' ' ' HIS . 0.0 OUTLIER 66.48 45.95 2.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.625 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.596 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 4.2 tpt180 74.33 27.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.593 1.183 . . . . 0.0 110.251 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.441 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 16.9 mttt 68.39 32.57 4.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.374 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.691 ' CZ3' ' CD1' ' A' ' 52' ' ' ILE . 5.4 t90 -74.09 -59.08 2.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 108.024 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' ND1' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -69.79 -33.09 71.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.542 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 9.1 mt -67.02 -35.01 73.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.515 ' HG ' ' CE ' ' A' ' 44' ' ' MET . 3.1 tm? -86.27 -28.28 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.592 HD13 HG22 ' A' ' 71' ' ' THR . 0.4 OUTLIER -83.38 -8.36 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -114.8 -21.99 9.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 15' ' ' ILE . 9.4 mmmt -92.17 -46.54 7.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.489 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 54.4 m -90.06 -63.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 17' ' ' LEU . 2.5 p -83.66 34.45 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.9 16.66 1.39 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.928 HG11 ' HB2' ' A' ' 27' ' ' MET . 0.0 OUTLIER -113.1 -39.3 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.63 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER 82.35 41.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.63 ' CB ' ' O ' ' A' ' 24' ' ' MET . 16.0 tt0 97.47 -7.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.635 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -75.66 -18.11 59.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.928 ' HB2' HG11 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -160.84 19.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.576 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 1.1 ttpm? -116.18 -16.46 10.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.9 p -91.1 52.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 m -56.17 -54.36 46.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 0.0 110.445 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -177.9 33.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' CA ' ' HB3' ' A' ' 35' ' ' GLU . 1.3 mp0 62.88 -74.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -57.46 -36.38 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -93.84 -24.59 17.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.576 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 1.8 tt0 -60.7 -24.69 65.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.704 ' HB2' HG21 ' A' ' 94' ' ' ILE . 7.0 pt20 -114.37 -33.96 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.568 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 57.2 tp -70.87 -71.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 3.2 m -60.49 -17.97 48.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 3.1 m -90.38 -14.71 32.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.754 ' O ' HD12 ' A' ' 41' ' ' ILE . . . -123.08 3.25 9.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 40' ' ' ALA . 1.6 mp -122.22 -44.37 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.632 ' C ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t0 -20.03 -71.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.571 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 19.7 mtt85 -135.34 -5.75 2.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.608 1.192 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.756 ' CG ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -76.76 -18.94 58.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.754 ' HA ' HD11 ' A' ' 98' ' ' ILE . 8.1 t30 -50.32 -90.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -87.91 -15.68 35.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.625 ' O ' ' HB2' ' A' ' 51' ' ' PHE . . . -72.02 -40.61 56.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.756 HD13 ' CG ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -80.75 -55.21 4.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 47.9 t0 -48.28 -37.43 16.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -76.99 -74.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.374 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.625 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 8.3 m-85 -45.7 -55.6 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.919 HG23 ' CA ' ' A' ' 57' ' ' GLU . 35.8 mm -52.93 -43.56 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 18.2 tt0 -63.84 -11.44 27.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.93 -13.02 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.376 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -98.98 -73.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.62 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.6 OUTLIER 164.16 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.218 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.919 ' CA ' HG23 ' A' ' 52' ' ' ILE . 1.6 pt-20 96.13 -6.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.274 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.603 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 28.3 m -125.26 -15.14 6.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.603 ' CB ' ' O ' ' A' ' 58' ' ' SER . 1.3 tp10 94.35 77.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.407 1.067 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' A' ' 68' ' ' ASP . 4.7 mm -136.33 15.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.402 ' HB2' ' HA ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -103.3 -36.28 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.676 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -91.5 -57.63 0.24 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.676 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.3 Cg_endo -74.97 -75.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.596 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 1.2 tp 96.32 -6.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.55 HG22 ' C ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER 165.87 42.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.608 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -172.4 54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER 155.81 -12.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.648 ' HB2' HD11 ' A' ' 60' ' ' ILE . 33.7 t0 -61.81 -51.19 69.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -87.26 -20.66 26.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -17.58 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.592 HG22 HD13 ' A' ' 17' ' ' LEU . 14.2 m -115.91 -41.75 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -65.65 -39.1 91.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 28.3 tt0 -67.82 -20.12 65.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 9.3 mt -78.63 -55.67 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.477 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 2.5 ptm -74.37 -21.23 59.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 72' ' ' ALA . 3.3 ttmt -85.66 -63.85 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 18.9 tt0 -54.76 -27.34 40.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.654 ' HA ' ' CE1' ' A' ' 82' ' ' TYR . . . -83.71 -56.21 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.646 ' HD3' HG21 ' A' ' 95' ' ' ILE . 11.2 ttp180 -71.09 2.33 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 61.3 t0 -115.27 -37.97 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.647 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 4.7 tpt -68.84 -59.28 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.593 1.183 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.654 ' CE1' ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -123.17 -24.39 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.06 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.753 ' O ' HD23 ' A' ' 91' ' ' LEU . . . 111.23 39.87 1.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.555 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER 83.45 7.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 110.28 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.676 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 168.71 -49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.676 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 8.9 tttt 148.95 28.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.623 ' HB2' HD13 ' A' ' 91' ' ' LEU . 7.9 mt -130.94 26.39 4.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.373 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 1.6 p-10 -39.39 -29.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -52.81 -37.65 60.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' LEU . 65.5 mttt -116.68 -28.98 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 83' ' ' GLY . 2.2 mp -70.64 -49.05 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 41.5 t-20 -52.72 -29.21 25.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -85.87 -29.68 23.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 36' ' ' GLN . 2.3 tp -71.41 -37.63 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.646 HG21 ' HD3' ' A' ' 79' ' ' ARG . 9.5 mm -83.37 -38.3 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 100' ' ' SER . 75.8 tttt -71.2 -23.54 62.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 93' ' ' THR . 14.7 tt0 -85.07 -42.85 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.754 HD11 ' HA ' ' A' ' 45' ' ' ASN . 2.4 tp -68.8 -19.97 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.632 HD12 HG23 ' A' ' 98' ' ' ILE . 4.2 mp -100.46 -27.26 13.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 31.3 t -84.93 -13.76 49.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 110.045 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.613 ' O ' ' CB ' ' A' ' 102' ' ' SER . 4.3 tp -62.76 -11.35 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.1 m 149.02 38.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.629 HG11 HG21 ' A' ' 52' ' ' ILE . 1.4 t -146.83 8.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.57 ' O ' ' C ' ' A' ' 105' ' ' GLU . 16.2 m -116.16 -47.82 2.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.605 ' O ' ' N ' ' A' ' 107' ' ' GLY . 6.4 tp10 -24.08 -52.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 105' ' ' GLU . 1.2 tm-20 29.33 36.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 105' ' ' GLU . . . 65.45 -54.44 0.13 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 6.4 mt-10 -94.84 -19.47 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' ' CD1' ' A' ' 15' ' ' ILE . 48.4 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -54.57 -66.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.94 -72.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -118.69 -64.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 50.02 -172.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.24 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.576 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -116.21 -75.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.62 ' CD2' ' CG ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -40.72 -28.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.64 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -48.02 -22.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 6.5 tpt180 -39.89 -28.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 8.6 mttt 159.16 -20.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 1.023 ' CZ3' ' CE1' ' A' ' 51' ' ' PHE . 1.1 t90 -69.13 -47.67 64.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 108.001 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.62 ' CG ' ' CD2' ' A' ' 9' ' ' HIS . 6.0 t0 -69.65 -30.42 68.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 11.9 mm -72.86 -40.44 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.607 ' HG ' ' CB ' ' A' ' 43' ' ' ARG . 1.3 tm? -75.24 -33.29 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.391 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.857 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -80.45 -18.32 49.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 5.2 mm-40 -96.69 -13.77 22.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.242 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.933 ' O ' HG22 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -104.55 -68.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.482 ' N ' ' SD ' ' A' ' 27' ' ' MET . 38.7 m -51.85 -89.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.744 HG21 ' OE1' ' A' ' 84' ' ' GLN . 1.6 p -69.48 0.74 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.444 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' HA3' ' C ' ' A' ' 18' ' ' GLU . . . -77.84 -15.67 80.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.617 1.198 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.933 HG22 ' O ' ' A' ' 19' ' ' LYS . 3.4 m -127.85 -50.31 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 0.798 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.511 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 3.4 ttp 81.85 22.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 177.66 -40.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.841 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -54.1 -20.43 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 20' ' ' SER . 6.2 ptm -162.24 10.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HE2' HG23 ' A' ' 21' ' ' THR . 2.2 tptp -92.76 -11.44 33.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.0 p -101.89 33.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -80.65 54.27 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.3 OUTLIER 79.93 -5.66 1.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER 74.35 -54.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.549 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 15.5 mt-10 -57.71 -41.2 81.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.66 -21.24 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.682 ' OE2' HD11 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -66.6 -17.32 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.697 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.4 pt20 -120.92 -32.08 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 33' ' ' GLU . 81.1 mt -74.6 -66.95 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.563 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.7 m -66.26 -14.44 61.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -95.04 -14.75 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -121.66 6.44 9.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.48 HG22 ' HA ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -131.18 -44.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' A' ' 38' ' ' SER . 4.7 t0 -78.01 2.61 17.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.632 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 5.5 mpt_? -132.64 -41.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.986 ' HB2' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -64.86 -27.75 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.479 ' N ' ' HG3' ' A' ' 44' ' ' MET . 1.0 OUTLIER -43.74 -87.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 3.0 mt-10 -93.35 -15.42 25.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.632 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -72.14 -38.04 59.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.986 HD22 ' HB2' ' A' ' 44' ' ' MET . 3.3 mp -87.02 -50.6 6.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' O ' HD12 ' A' ' 52' ' ' ILE . 50.0 m-20 -53.37 -50.48 65.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 46' ' ' GLU . . . -70.42 -38.47 74.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 1.023 ' CE1' ' CZ3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -44.49 -47.41 10.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 111.063 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.729 HG13 ' CD2' ' A' ' 51' ' ' PHE . 0.5 OUTLIER -70.2 -45.56 75.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' C ' HD22 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.73 -2.09 18.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' ALA . 4.3 mm? -122.87 -14.83 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.689 ' CZ ' ' HA ' ' A' ' 58' ' ' SER . 0.6 OUTLIER -124.76 -72.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 8.9 m-20 147.35 -50.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.9 pt-20 164.19 39.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.689 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . 6.7 p 52.61 69.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.674 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 1.0 OUTLIER -168.91 47.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.748 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER 151.36 25.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.682 ' N ' ' CE1' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -31.8 -37.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.6 OUTLIER -177.71 -55.85 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.4 Cg_endo -75.03 -89.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 63' ' ' PRO . 0.3 OUTLIER 169.45 -42.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.3 tt -139.09 13.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.934 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -110.22 -9.19 14.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.934 HD22 ' O ' ' A' ' 66' ' ' GLN . 2.7 mm? -139.98 -38.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.452 ' CG ' ' HA ' ' A' ' 59' ' ' GLU . 4.4 t0 -61.32 -57.27 13.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -83.48 -12.84 55.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.375 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.406 ' HB2' ' C ' ' A' ' 66' ' ' GLN . 2.0 t0 -76.58 -29.13 56.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.3 m -98.86 -36.66 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.09 79.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 47.4 mt-10 -73.91 -21.23 60.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 110.285 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.434 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -75.03 -51.22 14.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.37 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.497 ' CE ' ' HB2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -72.22 -26.34 62.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -83.13 -59.62 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.562 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 7.0 tm0? -49.9 -42.08 47.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.615 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -72.79 -48.64 36.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -62.33 -7.87 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 64.0 t0 -112.72 -26.85 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.558 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 8.6 ptm -70.94 -27.6 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.605 ' CD1' ' HA ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 174.67 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.465 ' HA2' ' HA ' ' A' ' 79' ' ' ARG . . . 122.76 74.7 0.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.435 1.085 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.744 ' OE1' HG21 ' A' ' 21' ' ' THR . 0.9 OUTLIER 54.51 14.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.1 tt0 154.2 -52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER 154.56 41.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.998 ' HB3' HD12 ' A' ' 91' ' ' LEU . 15.6 tp -127.26 10.34 6.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.567 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -37.45 -32.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' LEU . 2.2 tt0 -46.79 -40.92 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.632 ' HB2' HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -123.08 -18.15 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.998 HD12 ' HB3' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -80.84 -27.99 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 54.3 t30 -64.37 -37.16 86.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -82.08 -37.83 25.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.494 HD13 ' NE2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -68.77 -39.88 80.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 91' ' ' LEU . 2.3 pp -71.49 -42.41 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 100' ' ' SER . 56.2 tttm -63.79 -29.08 70.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.99 ' O ' HG23 ' A' ' 101' ' ' ILE . 0.2 OUTLIER -83.21 -44.01 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.909 HG23 HD21 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -70.35 -12.81 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 95' ' ' ILE . 12.8 mt -109.23 -17.18 13.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 44.5 t -101.54 -9.32 21.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.99 HG23 ' O ' ' A' ' 97' ' ' GLN . 7.7 pt -63.04 -8.36 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.3 t 95.42 33.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.862 HG21 HD23 ' A' ' 48' ' ' LEU . 28.1 m -116.37 -35.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.1 t -114.61 -32.01 6.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 109' ' ' LYS . 32.1 mt-10 -79.38 -2.71 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.177 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -13.39 30.18 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 108' ' ' GLU . . . -83.54 49.46 4.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.578 1.173 . . . . 0.0 110.952 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 4.1 tt0 81.19 44.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 105' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' CG2' ' A' ' 15' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -70.45 -53.86 14.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -49.64 -65.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' PHE . 2.0 t80 -36.27 -61.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 177.77 -72.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' C ' ' CG ' ' A' ' 9' ' ' HIS . 39.6 mttm -120.57 -93.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.45 ' CG ' ' HG2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER 178.77 35.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 0.0 109.607 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 4.7 m80 47.65 49.06 16.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.578 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 6.3 mmt180 68.64 20.31 8.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.526 ' HA ' ' CG1' ' A' ' 15' ' ' ILE . 25.6 mttt 69.25 41.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.671 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -87.27 -53.43 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.097 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 17.3 t70 -69.98 -25.58 63.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.697 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -81.42 -42.16 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 20' ' ' SER . 1.9 tm? -62.66 -30.54 71.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.558 HD21 ' HB3' ' A' ' 75' ' ' MET . 4.9 tp -96.51 -20.71 18.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.572 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 9.7 tt0 -122.27 35.52 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.697 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -162.03 -35.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.739 ' HB3' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -96.1 -34.38 11.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 17' ' ' LEU . 14.5 p -122.58 62.49 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.48 32.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.159 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.605 ' CG2' ' HA ' ' A' ' 19' ' ' LYS . 37.9 t -124.1 -85.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.737 . . . . 0.0 109.338 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.642 ' SD ' ' HB2' ' A' ' 26' ' ' ALA . 4.0 ptm -128.38 -11.77 5.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.943 ' O ' HG12 ' A' ' 29' ' ' VAL . 1.4 mt-10 95.12 2.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.354 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.642 ' HB2' ' SD ' ' A' ' 24' ' ' MET . . . -60.76 -18.4 54.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.425 ' CE ' ' HB3' ' A' ' 26' ' ' ALA . 1.7 mpp? -123.0 -11.19 8.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.57 ' CG ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -98.71 -15.8 19.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.943 HG12 ' O ' ' A' ' 25' ' ' GLU . 1.5 p -119.35 27.98 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.6 m -59.01 85.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER 49.17 20.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.519 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 12.5 mt-10 64.82 -66.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 110.323 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.1 mt-10 -47.3 -42.76 21.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -93.18 -19.26 21.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.859 ' OE2' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -60.14 -24.85 65.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.873 ' HB2' HG21 ' A' ' 94' ' ' ILE . 2.8 pp0? -119.64 -34.01 3.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.821 ' HG ' HD12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -69.21 -62.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 18.0 m -71.29 -16.85 62.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 2.1 m -91.82 -13.08 32.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -120.1 2.64 10.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.821 HD12 ' HG ' ' A' ' 37' ' ' LEU . 60.1 mt -122.26 -40.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -22.44 -72.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.593 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 11.1 mmt180 -128.29 -6.94 5.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.661 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 10.7 mtt -68.27 -17.65 64.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 1.6 t-20 -58.24 -91.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -80.87 -17.09 51.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.649 ' O ' ' CG ' ' A' ' 51' ' ' PHE . . . -74.68 -43.63 28.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.672 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -64.69 -41.0 96.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.346 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.483 ' O ' HG22 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -63.68 -41.65 98.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.353 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -81.87 -71.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.671 ' HB3' ' CE3' ' A' ' 13' ' ' TRP . 22.1 m-85 -34.45 -43.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.672 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -64.59 -49.47 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 50' ' ' ALA . 4.1 tt0 -68.85 -6.63 28.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.6 -33.65 8.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.629 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 77.9 m-85 -121.79 -64.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.629 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 7.7 t30 145.24 -13.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.663 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 3.1 tp10 75.48 23.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.493 ' OG ' ' HB2' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -132.21 -32.02 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.643 ' C ' HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -112.08 -50.05 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.262 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.793 ' N ' HD12 ' A' ' 60' ' ' ILE . 1.8 mp 73.0 2.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.718 ' OD1' HD13 ' A' ' 67' ' ' LEU . 10.4 t70 -97.21 -62.07 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.582 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER 153.58 -59.48 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.743 ' O ' HD23 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 63' ' ' PRO . 0.2 OUTLIER 93.04 35.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.7 mm -113.66 -12.74 11.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.882 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -154.45 56.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.882 HD12 ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER 173.65 -20.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.198 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.597 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 30.1 t0 -60.42 -56.32 22.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 1.1 t70 -83.97 -20.78 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.44 ' CB ' ' HA ' ' A' ' 67' ' ' LEU . 1.2 t0 -68.55 -26.24 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 m -112.36 -48.32 3.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.597 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -55.01 -44.64 74.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -66.4 -16.19 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -55.41 5.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.558 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -77.26 -22.11 52.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 5.4 mmtp -82.7 -59.96 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.577 ' O ' ' CG ' ' A' ' 81' ' ' MET . 31.7 tt0 -54.67 -39.92 68.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.714 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -69.67 -58.99 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -67.56 -0.79 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 12.1 t0 -104.22 -40.72 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.577 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -58.27 -53.45 58.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -150.51 -5.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 111.008 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 84' ' ' GLN . . . 111.81 37.51 1.55 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.714 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 0.1 OUTLIER 92.83 -34.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 110.287 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.524 ' CB ' ' HD2' ' A' ' 28' ' ' LYS . 8.5 tp10 -174.22 26.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.592 ' CG ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 79.21 36.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.859 HD22 ' OE2' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -122.77 6.03 9.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.571 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER -41.74 -28.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -49.29 -39.05 29.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -123.11 -20.65 5.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.832 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -78.16 -28.85 48.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 55.4 t30 -68.89 -37.72 79.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 3.0 m -78.71 -35.55 44.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.873 HG21 ' HB2' ' A' ' 36' ' ' GLN . 25.8 mm -75.01 -36.78 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 91' ' ' LEU . 15.2 tt -74.9 -48.31 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.599 ' O ' ' CB ' ' A' ' 100' ' ' SER . 2.6 tttt -66.16 -26.13 67.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 93' ' ' THR . 15.1 tt0 -78.44 -42.81 28.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.469 HG21 ' SD ' ' A' ' 44' ' ' MET . 1.1 tp -73.62 -10.89 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.551 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -111.95 -12.72 13.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 70.7 m -110.96 -7.42 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.698 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.4 tp -61.21 -29.12 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 4.3 m 138.95 41.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.059 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.592 HG11 HD12 ' A' ' 48' ' ' LEU . 6.7 m -124.26 -46.36 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 99' ' ' LEU . 1.4 t -80.67 21.27 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 103' ' ' VAL . 0.3 OUTLIER 73.89 35.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 108' ' ' GLU . 1.4 tt0 -40.62 -34.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.28 -21.44 1.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 2.4 mt-10 -114.13 -72.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.623 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.508 ' HB3' ' CB ' ' A' ' 12' ' ' LYS . 3.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.6 m -82.89 -78.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -92.51 -0.01 57.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.53 ' CD2' ' HD2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -79.48 -43.95 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.436 ' CG ' ' C ' ' A' ' 6' ' ' PHE . 2.2 pt-20 41.0 80.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.53 ' HD2' ' CD2' ' A' ' 6' ' ' PHE . 4.9 mtpt -122.2 -70.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 49.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.611 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.584 ' CE1' ' HA2' ' A' ' 47' ' ' GLY . 28.7 m80 56.24 67.77 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.546 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER 66.84 15.38 10.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.581 ' O ' ' N ' ' A' ' 15' ' ' ILE . 2.5 tttt 69.21 94.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.973 ' CE3' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -47.44 -35.11 8.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 10.3 t70 -61.55 -26.32 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -76.65 -37.0 28.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.36 -32.55 58.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.812 HD12 ' HB ' ' A' ' 21' ' ' THR . 55.1 tp -84.04 -19.81 33.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 5.1 tm-20 -95.39 -18.7 20.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -91.89 -34.15 14.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.52 ' HA ' ' CB ' ' A' ' 27' ' ' MET . 47.2 t -93.74 -71.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.064 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.812 ' HB ' HD12 ' A' ' 17' ' ' LEU . 63.2 m -84.28 24.2 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.96 -5.11 4.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 26' ' ' ALA . 3.7 t -122.25 -41.13 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.427 ' HE3' ' N ' ' A' ' 24' ' ' MET . 0.0 OUTLIER 72.26 30.63 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.847 ' HA ' HG23 ' A' ' 29' ' ' VAL . 14.3 tt0 -178.11 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.881 ' HB2' HG11 ' A' ' 23' ' ' VAL . . . -64.85 -24.65 67.61 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.52 ' CB ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -156.03 15.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.57 ' HE3' ' CG ' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -110.39 -16.66 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.388 1.055 . . . . 0.0 109.275 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.847 HG23 ' HA ' ' A' ' 25' ' ' GLU . 55.2 t -99.11 46.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.497 HG23 ' HA ' ' A' ' 35' ' ' GLU . 4.0 t -132.39 71.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.797 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.3 m 55.93 102.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.6 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -25.27 -73.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.9 ' O ' HD13 ' A' ' 37' ' ' LEU . 5.4 mt-10 -45.9 -35.16 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.752 ' N ' ' O ' ' A' ' 31' ' ' SER . 6.5 mttt -89.06 -24.69 22.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.364 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.797 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -58.67 -17.56 23.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 2.5 tp-100 -121.56 -35.69 3.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.9 HD13 ' O ' ' A' ' 33' ' ' GLU . 11.0 mp -69.34 -64.54 0.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -23.28 67.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -80.93 -19.03 45.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.581 ' CB ' HG23 ' A' ' 98' ' ' ILE . . . -121.96 5.73 9.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 1.031 HG23 ' OD1' ' A' ' 45' ' ' ASN . 60.5 mt -109.27 -43.81 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.599 ' C ' ' O ' ' A' ' 41' ' ' ILE . 8.7 t70 -24.01 -64.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -137.43 -7.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.646 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -77.81 -18.29 56.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 1.031 ' OD1' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -46.2 -77.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -88.51 -22.83 23.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 10' ' ' HIS . . . -72.45 -44.79 40.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.941 HD22 ' O ' ' A' ' 99' ' ' LEU . 1.3 tt -68.86 -51.21 42.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 0.805 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -55.51 -34.84 64.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.239 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.452 ' HB3' ' HE1' ' A' ' 10' ' ' HIS . . . -74.58 -72.56 0.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.973 ' CE1' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -46.55 -51.39 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.804 ' HB ' HD23 ' A' ' 48' ' ' LEU . 2.0 tt -54.26 -42.22 55.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' CD ' ' CG1' ' A' ' 103' ' ' VAL . 1.7 tt0 -78.86 -2.5 40.09 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -112.11 -15.96 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.616 ' CE1' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -121.27 -71.19 0.74 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.614 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 1.4 m120 150.85 -18.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.614 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.0 OUTLIER 95.18 10.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.8 m -174.14 33.6 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.616 ' O ' ' CE1' ' A' ' 55' ' ' TYR . 4.9 tt0 -136.35 39.29 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.258 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.687 ' CG1' ' CZ3' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -70.04 -46.43 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.736 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 28.8 t0 -61.6 -48.49 80.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.391 1.057 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.736 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 12.0 tt0 110.68 -52.01 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.4 Cg_endo -74.95 -42.98 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER 76.58 41.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 65' ' ' ILE . 2.6 mt -130.61 2.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -172.03 63.52 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 110.384 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 66' ' ' GLN . 3.5 mt 161.46 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.568 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.5 t70 -64.91 -45.59 85.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.3 m-20 -84.8 -17.69 37.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.5 -34.41 70.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.6 m -101.23 -33.85 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -68.88 -30.89 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.362 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 22.8 tt0 -63.41 -24.01 67.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 52.1 mt -86.09 -57.06 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -61.67 -29.09 69.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 50.0 mtpt -82.33 -62.05 1.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.554 ' O ' ' HB3' ' A' ' 81' ' ' MET . 37.5 tt0 -53.55 -29.54 37.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.592 ' CB ' ' CG2' ' A' ' 21' ' ' THR . . . -80.01 -57.63 3.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.606 ' HA ' ' CA ' ' A' ' 83' ' ' GLY . 1.3 ttp180 -72.76 5.87 2.89 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 21.6 t0 -116.72 -45.14 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.554 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.14 -32.2 71.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.595 ' CG ' ' HA ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 176.29 30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.655 ' O ' ' HB2' ' A' ' 84' ' ' GLN . . . 86.54 -29.96 4.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.655 ' HB2' ' O ' ' A' ' 83' ' ' GLY . 0.0 OUTLIER 164.27 -14.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -172.63 -40.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.615 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER 154.84 39.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.769 ' HB2' HD13 ' A' ' 91' ' ' LEU . 15.2 mt -128.31 -2.82 5.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 87' ' ' LEU . 14.9 p-10 -32.98 -39.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 87' ' ' LEU . 12.6 pt-20 -42.18 -46.89 4.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -121.39 -12.82 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.769 HD13 ' HB2' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -79.09 -19.64 50.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -59.82 -43.05 94.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.496 ' O ' ' CG ' ' A' ' 97' ' ' GLN . 5.9 p -88.82 -29.42 19.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.423 ' O ' ' HB ' ' A' ' 98' ' ' ILE . 1.2 mp -74.42 -29.27 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 91' ' ' LEU . 10.2 tt -77.58 -45.26 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -72.42 -20.42 61.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.621 ' O ' ' CA ' ' A' ' 101' ' ' ILE . 77.4 mt-30 -89.74 -43.03 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.901 HD11 ' CG1' ' A' ' 41' ' ' ILE . 3.7 tp -81.45 -8.77 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 48' ' ' LEU . 4.4 tt -97.05 -41.83 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.659 ' O ' HG22 ' A' ' 101' ' ' ILE . 0.4 OUTLIER -126.93 -32.45 2.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.673 HG22 HG23 ' A' ' 103' ' ' VAL . 0.4 OUTLIER 61.99 20.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.57 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 1.4 t 91.45 18.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.673 HG23 HG22 ' A' ' 101' ' ' ILE . 82.4 t -98.19 -11.88 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.618 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 0.3 OUTLIER -67.42 -6.39 19.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.952 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.618 ' CB ' ' O ' ' A' ' 104' ' ' SER . 25.5 tt0 96.36 17.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 72.23 -50.62 0.7 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 43.74 25.7 0.63 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 58.26 42.59 21.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.555 0.797 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.451 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 16.6 t . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.524 HG23 ' HD1' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -65.84 -35.37 80.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.456 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.524 ' HD1' HG23 ' A' ' 4' ' ' THR . 11.1 m-85 -119.62 -87.4 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -122.08 -64.68 1.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.451 ' HB2' ' N ' ' A' ' 3' ' ' CYS . 20.1 mp0 52.95 176.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.06 -56.68 1.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.603 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 6.1 m-70 -102.54 -38.22 7.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -47.61 -32.9 6.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.536 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.861 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -99.98 31.18 3.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.467 ' O ' HG22 ' A' ' 15' ' ' ILE . 6.5 mmtt -124.91 -63.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.691 ' CH2' HG22 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -71.15 -69.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 107.924 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -47.03 -32.62 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.861 HD13 ' HA ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -70.21 -37.55 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -74.39 -35.84 63.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.578 HD23 ' CG2' ' A' ' 71' ' ' THR . 10.1 tp -81.16 -14.55 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 2.6 mm-40 -103.53 -9.72 19.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HA ' HG23 ' A' ' 23' ' ' VAL . 2.6 mtpt -109.64 -66.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.676 ' OG ' HG23 ' A' ' 39' ' ' THR . 47.8 m -55.75 -91.49 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.541 1.151 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.42 ' CG2' HD12 ' A' ' 17' ' ' LEU . 7.1 t -85.47 29.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 110.354 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -119.49 -14.13 5.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.638 HG11 ' HB2' ' A' ' 26' ' ' ALA . 3.2 t -124.79 -41.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.184 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.526 ' HB3' ' O ' ' A' ' 23' ' ' VAL . 3.8 ttp 81.13 29.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.843 ' O ' HG12 ' A' ' 29' ' ' VAL . 27.9 tt0 -179.57 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.638 ' HB2' HG11 ' A' ' 23' ' ' VAL . . . -61.5 -25.44 67.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.465 ' CB ' ' HA ' ' A' ' 20' ' ' SER . 1.2 mmt -152.21 14.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.742 ' CE ' HD13 ' A' ' 87' ' ' LEU . 9.2 tptt -114.01 -12.43 12.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.843 HG12 ' O ' ' A' ' 25' ' ' GLU . 1.7 p -107.95 46.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.659 ' O ' ' CB ' ' A' ' 31' ' ' SER . 18.1 m -112.42 -24.9 9.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.73 ' O ' ' N ' ' A' ' 34' ' ' LYS . 2.9 m 144.9 109.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 31' ' ' SER . 1.1 mt-10 -29.94 -64.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.889 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -47.25 -31.62 3.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.73 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -94.67 -27.09 16.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.681 ' N ' ' O ' ' A' ' 31' ' ' SER . 22.7 mt-10 -71.05 -5.65 33.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.645 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 13.7 pt20 -123.72 -41.93 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.889 HD12 ' O ' ' A' ' 33' ' ' GLU . 1.4 mt -84.98 -56.17 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 3.8 m -69.84 -18.97 63.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.676 HG23 ' OG ' ' A' ' 20' ' ' SER . 16.6 m -92.39 -22.58 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.842 ' HB1' HG21 ' A' ' 98' ' ' ILE . . . -107.95 1.2 22.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.592 ' O ' ' C ' ' A' ' 42' ' ' ASP . 4.1 mm -120.4 -44.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -24.72 -69.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.602 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -131.51 -15.86 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.694 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 15.0 mtt -70.54 -20.53 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.436 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 4.6 t30 -52.93 -86.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 2.1 tt0 -84.03 -20.65 32.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.7 ' O ' ' HB2' ' A' ' 51' ' ' PHE . . . -69.87 -53.42 15.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.694 ' HB2' ' O ' ' A' ' 44' ' ' MET . 1.5 tp -62.05 -53.94 48.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.357 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 8.3 m-20 -49.25 -40.08 32.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -78.96 -75.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.7 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -37.09 -53.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.954 HG21 HG13 ' A' ' 103' ' ' VAL . 2.3 mm -59.36 -44.85 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 21.3 tt0 -65.37 -10.43 33.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -29.04 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CZ ' ' O ' ' A' ' 60' ' ' ILE . 9.6 m-85 -121.91 -68.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.791 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.7 OUTLIER 151.76 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.724 ' CA ' HD12 ' A' ' 52' ' ' ILE . 3.0 tm-20 98.0 37.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 36.1 m -158.17 -50.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.731 ' C ' HG23 ' A' ' 60' ' ' ILE . 1.2 pm0 -68.71 -58.31 4.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.731 HG23 ' C ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER 76.3 -9.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.563 ' CG ' HD11 ' A' ' 65' ' ' ILE . 11.6 t70 -148.27 -50.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 1.5 tt0 157.4 -59.78 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.715 ' O ' HD12 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 -80.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -168.32 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 65' ' ' ILE . 20.6 mm 73.52 13.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 59.59 21.22 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.459 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.0 OUTLIER -140.87 2.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.663 ' HB3' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -67.59 -27.43 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 15.6 m-20 -84.31 -20.73 31.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -78.96 -31.66 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.356 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.578 ' CG2' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -95.21 -38.75 10.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -67.69 -36.52 80.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 3.4 tt0 -73.26 -26.27 61.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.655 HD22 HE22 ' A' ' 84' ' ' GLN . 17.5 mt -70.41 -59.07 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.543 ' HB3' HD11 ' A' ' 17' ' ' LEU . 2.8 ptt? -66.61 -34.04 76.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' N ' ' HG3' ' A' ' 75' ' ' MET . 5.8 ttmm -71.48 -68.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 7.1 pt20 -51.94 -20.13 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.65 ' HB1' ' HB2' ' A' ' 84' ' ' GLN . . . -76.23 -80.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.417 1.073 . . . . 0.0 109.333 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.507 ' HA ' ' HA2' ' A' ' 83' ' ' GLY . 6.4 ptm180 -56.11 -6.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 78' ' ' ALA . 6.9 m-20 -88.66 -51.89 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.564 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -73.05 -58.82 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.564 ' CE2' ' HG2' ' A' ' 81' ' ' MET . 0.0 OUTLIER -167.59 21.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 87' ' ' LEU . . . 85.1 41.18 7.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.655 HE22 HD22 ' A' ' 74' ' ' LEU . 5.8 tp60 77.51 -17.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.757 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 86' ' ' LYS . 1.1 pm0 -179.26 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.83 ' O ' HD13 ' A' ' 91' ' ' LEU . 4.3 tttp -177.68 29.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.883 HD12 ' CD2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -91.68 34.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 4.0 t30 -122.64 -43.53 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -34.39 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -115.46 -10.75 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.883 ' CD2' HD12 ' A' ' 87' ' ' LEU . 1.3 mp -80.49 -17.69 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 20.3 t30 -64.44 -36.31 83.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 29.7 m -86.63 -35.88 19.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.392 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.766 ' O ' HG22 ' A' ' 98' ' ' ILE . 1.2 mp -70.8 -35.77 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.617 HD11 HD11 ' A' ' 87' ' ' LEU . 4.9 mm -81.9 -38.07 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 100' ' ' SER . 12.5 ttpt -74.35 -18.96 60.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 93' ' ' THR . 30.4 tt0 -88.68 -45.51 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.842 HG21 ' HB1' ' A' ' 40' ' ' ALA . 5.6 tp -66.24 -25.79 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.663 ' CD1' HG23 ' A' ' 98' ' ' ILE . 10.0 mp -91.23 -37.1 13.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 43.9 t -77.27 -10.47 59.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.607 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.4 OUTLIER -66.98 -11.4 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.607 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 4.4 p 147.96 46.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.954 HG13 HG21 ' A' ' 52' ' ' ILE . 1.6 t -147.21 -45.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.24 -32.3 15.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 104' ' ' SER . 1.2 tt0 -37.2 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -156.91 72.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 108' ' ' GLU . . . -83.32 22.4 7.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.622 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 4.9 tt0 90.03 6.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.622 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 t -57.98 -35.53 71.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 0.0 110.42 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.5 -75.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 9.0 m-85 -115.15 -86.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER 167.78 70.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.77 -93.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 1.043 ' CE1' HD23 ' A' ' 54' ' ' LEU . 5.4 m170 -103.62 -17.31 15.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 109.61 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.603 ' N ' ' CD2' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -74.73 -23.08 58.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.538 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 20.24 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.398 1.061 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.401 ' N ' ' HB ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -141.88 -70.05 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.778 ' HE1' HD12 ' A' ' 48' ' ' LEU . 1.5 t90 -58.86 -71.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 107.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 25.7 t0 -54.5 -21.84 11.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.55 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 1.2 mm -77.41 -25.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' CD1' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -81.68 -30.19 32.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.911 HD11 ' HB3' ' A' ' 75' ' ' MET . 41.5 tp -95.37 -12.29 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.577 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 6.9 tt0 -106.22 -16.84 14.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 2.3 tttt -115.16 -20.78 10.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.615 ' CA ' ' HB3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -121.34 60.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.988 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.786 HG23 HG23 ' A' ' 23' ' ' VAL . 1.1 t -122.86 19.18 10.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.511 ' N ' ' HG2' ' A' ' 27' ' ' MET . . . 84.41 -9.52 64.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.786 HG23 HG23 ' A' ' 21' ' ' THR . 42.9 t -76.95 -49.7 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.46 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 2.2 mpp? -83.53 -10.64 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.676 ' O ' HG12 ' A' ' 29' ' ' VAL . 0.1 OUTLIER 79.31 -3.38 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -67.85 -12.03 59.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.615 ' HB3' ' CA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -127.24 -3.27 6.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.98 -1.81 8.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -123.23 24.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 34' ' ' LYS . 9.0 m -110.17 27.63 9.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.419 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER 79.14 -0.39 2.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.6 mt-10 77.72 -52.36 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.48 -43.0 86.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.238 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' HB3' HG22 ' A' ' 30' ' ' THR . 8.4 mttp -82.03 -16.94 48.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.581 ' CG ' ' O ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -71.16 -45.6 63.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.925 ' CD ' HD13 ' A' ' 91' ' ' LEU . 13.7 mm-40 -80.14 -36.79 34.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.636 HD12 HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -59.28 -47.54 84.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.651 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 1.3 m -70.19 -46.58 64.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.81 HG22 ' HA ' ' A' ' 36' ' ' GLN . 1.3 t -68.16 -1.59 6.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HB2' ' CG2' ' A' ' 94' ' ' ILE . . . -120.52 -12.16 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.636 HD12 HD12 ' A' ' 37' ' ' LEU . 3.3 mt -128.77 -52.62 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.651 ' CB ' ' O ' ' A' ' 38' ' ' SER . 28.1 t0 -23.13 -68.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.658 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 14.9 mmt-85 -127.52 -11.32 5.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.369 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.971 ' HG3' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.22 -19.76 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.514 ' CG ' ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -63.11 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' H ' ' CG ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -79.01 -16.92 56.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.658 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -75.78 -37.83 38.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.971 HD13 ' HG3' ' A' ' 44' ' ' MET . 5.1 tp -68.14 -52.43 34.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.473 ' C ' HG22 ' A' ' 52' ' ' ILE . 2.5 m-20 -59.26 -39.96 84.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -74.63 -72.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.719 ' HB3' ' CE3' ' A' ' 13' ' ' TRP . 22.8 m-30 -41.11 -51.33 3.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.841 HG22 ' O ' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -52.94 -43.87 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . 43.2 tt0 -89.32 8.47 30.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.043 HD23 ' CE1' ' A' ' 9' ' ' HIS . 2.6 mp -117.83 -17.59 9.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.647 ' CE1' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -111.25 -64.66 1.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.627 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 3.6 m-20 156.92 -5.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.394 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.627 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.2 mt-10 96.59 80.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.5 m 156.81 -22.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.663 ' OE1' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 86.05 -7.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.59 HG22 HD23 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -158.07 16.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.501 ' CB ' ' HB3' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -40.9 -35.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 137.17 1.48 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 83.21 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.774 HD22 ' HB2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -95.46 -19.67 19.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 65' ' ' ILE . 0.9 OUTLIER 72.42 21.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.446 ' HG3' HD23 ' A' ' 64' ' ' LEU . 9.5 pt20 169.38 55.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.774 ' HB2' HD22 ' A' ' 64' ' ' LEU . 1.4 tp -169.35 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.199 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 24.7 t0 -66.95 -48.32 68.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.0 p30 -83.64 -20.52 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.467 ' O ' HD13 ' A' ' 74' ' ' LEU . 1.5 t0 -68.37 -33.51 74.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.472 ' HB ' ' CD1' ' A' ' 60' ' ' ILE . 1.2 m -102.21 -47.88 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -54.68 -41.04 69.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 10.1 tt0 -74.6 -17.18 60.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 70' ' ' ASP . 1.4 tp -71.97 -53.51 12.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.911 ' HB3' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.29 -21.35 49.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.81 -59.29 2.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 6.8 pt20 -56.99 -38.11 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.71 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -72.42 -61.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.575 ' HG3' HD13 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -51.98 -13.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 78' ' ' ALA . 11.3 t0 -103.93 -27.07 12.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 6.0 ptp -73.25 -17.42 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.588 1.18 . . . . 0.0 111.024 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 173.49 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.814 ' O ' HD23 ' A' ' 91' ' ' LEU . . . 135.21 45.08 0.1 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.71 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 2.9 tt0 77.09 -20.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.303 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 83' ' ' GLY . 5.7 tm-20 177.12 29.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 0.6 OUTLIER 70.86 41.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.446 HD23 ' HG2' ' A' ' 36' ' ' GLN . 57.8 tp -122.62 6.04 9.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 23.9 p-10 -51.45 -34.5 35.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -38.64 -41.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -121.42 -25.98 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.966 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.1 tp -67.38 -45.98 74.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 3.6 p30 -40.22 -33.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.219 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.471 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 53.4 m -84.02 -36.64 22.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.445 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.4 mm -71.64 -37.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.966 HG22 ' O ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -71.81 -44.89 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.615 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -65.02 -25.74 67.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.338 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -78.08 -45.13 24.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 48' ' ' LEU . 1.1 mp -75.25 -12.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.824 HD22 HG13 ' A' ' 95' ' ' ILE . 4.8 mp -105.03 -21.13 13.33 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.1 t -96.18 -10.08 28.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.878 HG22 HG22 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -60.32 -10.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 1.3 t 86.48 45.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.878 HG22 HG22 ' A' ' 101' ' ' ILE . 8.9 m -136.25 -51.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 3.5 t -43.9 -49.64 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.937 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 104' ' ' SER . 0.5 OUTLIER 155.53 40.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 1.067 . . . . 0.0 110.328 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -50.66 34.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.4 49.34 3.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.494 ' OE2' ' CB ' ' A' ' 109' ' ' LYS . 1.5 pp20? -163.51 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 0.722 . . . . 0.0 110.36 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.494 ' CB ' ' OE2' ' A' ' 108' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.746 ' SG ' HD11 ' A' ' 15' ' ' ILE . 19.0 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 t -121.15 -0.1 10.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.96 -39.32 94.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -66.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.54 -81.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -100.45 -93.66 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.41 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -175.55 33.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 11' ' ' ARG . 5.4 m-70 42.72 45.75 4.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 109.524 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.604 ' HB2' ' CE2' ' A' ' 51' ' ' PHE . 0.4 OUTLIER 78.21 37.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 2.9 ptpp? 50.47 32.97 7.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.362 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.838 ' HB3' HG22 ' A' ' 60' ' ' ILE . 6.0 m0 -72.54 -46.28 55.24 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' ' HB ' ' A' ' 60' ' ' ILE . 29.2 t70 -78.1 -26.78 48.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.746 HD11 ' SG ' ' A' ' 3' ' ' CYS . 25.9 mm -75.81 -36.19 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 39' ' ' THR . 1.9 tm? -80.67 -36.23 32.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.672 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -74.15 -24.78 59.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -94.1 -22.28 18.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HD2' HG22 ' A' ' 15' ' ' ILE . 11.9 mttt -76.78 -40.16 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.915 ' O ' HG22 ' A' ' 21' ' ' THR . 11.3 p -33.55 -59.86 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.936 HG23 ' H ' ' A' ' 23' ' ' VAL . 1.2 t 86.43 -39.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.87 -2.05 1.07 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.569 1.168 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.936 ' H ' HG23 ' A' ' 21' ' ' THR . 43.7 t -61.77 -24.71 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.653 ' CG ' ' O ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER 82.96 21.22 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.54 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.488 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -55.39 -16.32 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.509 ' N ' HG21 ' A' ' 21' ' ' THR . 0.0 OUTLIER 171.78 34.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.804 ' HG2' HG22 ' A' ' 21' ' ' THR . 10.3 mmmt -131.73 -0.08 3.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 29' ' ' VAL . 11.1 p -83.14 48.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.824 HG22 ' O ' ' A' ' 30' ' ' THR . 1.1 m -109.41 54.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER 72.05 10.54 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 3.7 mt-10 62.86 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.275 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.741 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -46.82 -37.51 8.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' CG ' ' OG ' ' A' ' 38' ' ' SER . 0.9 OUTLIER -88.66 -19.56 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -57.25 -28.4 62.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.909 ' HG3' HD11 ' A' ' 91' ' ' LEU . 1.4 mm-40 -117.09 -22.39 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.83 ' CD2' HG23 ' A' ' 94' ' ' ILE . 49.2 mt -85.41 -60.22 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.775 ' HA ' HG22 ' A' ' 41' ' ' ILE . 65.3 m -64.14 -19.33 65.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.597 HG21 ' O ' ' A' ' 35' ' ' GLU . 61.1 p -93.26 -26.14 17.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -107.72 3.1 24.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.775 HG22 ' HA ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -119.1 -36.25 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.562 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -27.7 -64.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -130.36 -12.51 3.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.705 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 4.2 mtt -72.56 -23.01 60.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.459 ' HB2' ' CD1' ' A' ' 41' ' ' ILE . 2.2 t-20 -40.86 -83.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.571 1.17 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -85.29 -19.39 31.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 51' ' ' PHE . . . -69.9 -34.27 71.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.59 1.181 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.976 HD21 ' O ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -82.41 -58.21 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' O ' HG22 ' A' ' 52' ' ' ILE . 59.4 t0 -44.24 -36.83 2.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.81 -65.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 3.2 m-85 -50.05 -33.99 20.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.738 HD12 ' HG ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.31 -49.24 83.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.183 . . . . 0.0 109.336 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 9.1 tt0 -75.01 -2.47 27.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 tp -107.08 -27.55 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.632 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 6.3 m-85 -123.94 -73.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.606 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER 175.4 -56.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.655 ' HB2' ' CG1' ' A' ' 52' ' ' ILE . 3.9 tm-20 152.19 -12.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.841 ' O ' HD12 ' A' ' 67' ' ' LEU . 6.6 m -128.94 44.81 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.632 ' OE2' ' CE2' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -102.51 26.12 8.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.844 HD13 ' H ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -65.3 -42.93 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.844 ' H ' HD13 ' A' ' 60' ' ' ILE . 12.1 t0 -116.02 -55.15 2.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 45.0 78.02 0.42 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 18.3 Cg_endo -74.96 0.29 9.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.777 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 3.4 tp 85.82 2.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.38 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -96.12 -22.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.426 1.079 . . . . 0.0 109.243 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.823 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -175.34 -71.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.841 HD12 ' O ' ' A' ' 58' ' ' SER . 0.3 OUTLIER 89.67 -34.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.651 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.4 t70 -69.94 -45.39 67.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -82.64 -10.01 59.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.47 -34.58 63.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.805 ' OG1' HD12 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -110.56 -20.91 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.371 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.651 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -80.14 -32.99 38.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 29.7 tt0 -60.58 -30.04 69.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.487 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.29 -60.63 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.513 ' CG ' ' HA ' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -50.89 -31.96 19.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 14.0 mtpt -80.75 -51.77 8.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 81' ' ' MET . 27.9 tp60 -54.55 -25.43 25.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.913 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -87.47 -71.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.584 ' HA ' ' HA2' ' A' ' 83' ' ' GLY . 0.3 OUTLIER -48.12 -18.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 41.1 t0 -96.85 -38.59 9.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.546 ' CB ' ' O ' ' A' ' 77' ' ' GLN . 5.3 ttp -60.01 -19.26 51.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.602 ' CD2' ' HD2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 170.83 -21.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.956 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.584 ' HA2' ' HA ' ' A' ' 79' ' ' ARG . . . 129.99 28.38 0.73 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.913 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 26.5 tp60 74.75 -16.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 83' ' ' GLY . 0.2 OUTLIER 178.75 26.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.602 ' HD2' ' CD2' ' A' ' 82' ' ' TYR . 0.1 OUTLIER 63.45 34.37 12.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.528 ' C ' ' HB2' ' A' ' 91' ' ' LEU . 13.1 mt -122.84 1.76 9.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 87' ' ' LEU . 1.1 t30 -38.09 -38.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -43.01 -40.68 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -123.38 -2.83 8.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.909 HD11 ' HG3' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -84.69 -26.88 27.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -56.25 -45.05 80.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 t -88.82 -37.71 15.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.83 HG23 ' CD2' ' A' ' 37' ' ' LEU . 61.2 mt -64.26 -28.94 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.796 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -82.27 -47.45 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.222 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -60.72 -19.0 57.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.503 ' O ' ' CA ' ' A' ' 101' ' ' ILE . 2.3 mp0 -103.38 -49.39 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.626 ' HB ' ' O ' ' A' ' 94' ' ' ILE . 1.6 tp -79.97 -0.27 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.976 ' O ' HD21 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -121.61 -39.92 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.478 ' HB2' ' CB ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -112.7 -30.92 6.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER 60.55 16.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER 79.79 6.71 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 110.08 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.7 t -100.8 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 100' ' ' SER . 0.4 OUTLIER -112.28 -22.31 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -40.69 -31.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.391 1.057 . . . . 0.0 110.36 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.546 ' HB3' ' CB ' ' A' ' 109' ' ' LYS . 17.5 mm-40 66.79 5.29 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.75 -58.29 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 106' ' ' GLU . 2.0 tp10 -156.75 19.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.546 ' CB ' ' HB3' ' A' ' 106' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.8 m -75.09 -78.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -78.28 -91.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 7' ' ' GLU . 43.3 p90 -121.52 -48.04 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.573 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.5 OUTLIER 49.89 -171.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.76 -77.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -131.4 27.19 4.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.563 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.586 ' CE1' ' HB ' ' A' ' 60' ' ' ILE . 15.9 m-70 -70.86 -31.29 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.588 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.649 ' HA ' HD12 ' A' ' 15' ' ' ILE . 2.0 ptm180 -85.06 48.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.556 ' CA ' HG22 ' A' ' 15' ' ' ILE . 2.2 ptmm? 179.03 -65.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.917 ' CE2' ' CZ ' ' A' ' 51' ' ' PHE . 7.0 t90 -70.69 -55.84 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.783 ' HB2' HG21 ' A' ' 60' ' ' ILE . 26.8 t0 -74.47 -28.47 61.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 11' ' ' ARG . 1.6 tt -67.91 -34.85 69.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.07 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.651 ' O ' HD13 ' A' ' 16' ' ' LEU . 1.9 tm? -80.54 -33.91 35.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.817 HD23 ' CG2' ' A' ' 71' ' ' THR . 6.9 tp -86.46 -3.4 59.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 6.3 tm-20 -116.4 -17.21 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.579 ' O ' HG21 ' A' ' 23' ' ' VAL . 2.1 mtpp -114.75 -9.44 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -122.26 -69.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.622 ' CB ' HD12 ' A' ' 17' ' ' LEU . 44.7 m -76.87 51.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.446 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.46 21.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.579 HG21 ' O ' ' A' ' 19' ' ' LYS . 61.3 t -125.42 -43.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.542 ' O ' ' HE3' ' A' ' 24' ' ' MET . 1.1 ttp 71.69 5.58 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.544 ' HB2' HG12 ' A' ' 23' ' ' VAL . 2.2 mt-10 -113.49 -64.82 1.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' O ' HG21 ' A' ' 30' ' ' THR . . . -78.78 1.11 24.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.577 ' CE ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -119.42 -22.1 7.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.577 ' CB ' ' CE ' ' A' ' 27' ' ' MET . 1.3 tptt -121.98 -41.1 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' GLU . 84.0 t -92.44 63.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.636 ' O ' ' CB ' ' A' ' 31' ' ' SER . 1.4 p -128.65 -32.36 2.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 30' ' ' THR . 4.7 p 146.7 11.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 66.0 -71.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' SER . 12.6 pt-20 -48.86 -38.14 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 -21.56 19.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -66.7 -14.27 62.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.874 ' NE2' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -120.53 -37.4 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.91 -60.83 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.246 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.9 m -70.76 -14.88 62.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 1.9 m -93.12 -23.58 18.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.376 1.047 . . . . 0.0 110.387 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -109.88 1.76 19.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.61 ' O ' ' C ' ' A' ' 42' ' ' ASP . 25.0 mt -121.97 -41.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -21.83 -74.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.676 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.9 OUTLIER -131.47 -9.19 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.696 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 3.6 mtt -72.24 -21.28 61.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.498 ' CG ' HG23 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -57.94 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.669 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.5 mm-40 -85.69 -26.45 25.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.676 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -65.58 -43.4 94.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.736 HD23 HG11 ' A' ' 103' ' ' VAL . 1.1 tp -70.73 -45.19 65.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -72.49 -20.85 61.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . -81.46 -77.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.917 ' CZ ' ' CE2' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -40.18 -42.73 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.795 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -68.15 -46.77 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.54 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 13.0 tt0 -73.42 -2.87 24.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -119.35 -15.78 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.671 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -126.16 -68.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.62 43.04 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.671 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 1.3 tp10 -88.27 -24.16 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.233 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 2.3 m 91.08 -14.69 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -151.18 -72.54 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER 172.92 -65.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.527 ' HB2' ' CB ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -54.77 -71.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.57 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 3.2 pt-20 173.26 159.21 0.28 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 42.91 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.426 1.751 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.692 ' O ' HG22 ' A' ' 65' ' ' ILE . 45.9 tp -87.21 -17.75 31.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER 88.34 20.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.731 HE21 HD23 ' A' ' 67' ' ' LEU . 7.3 pt20 -107.2 -31.35 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.731 HD23 HE21 ' A' ' 66' ' ' GLN . 1.0 OUTLIER -127.38 -27.45 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.219 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.582 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -66.1 -34.2 77.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -87.79 -21.34 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -69.18 -40.24 78.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.817 ' CG2' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -88.07 -38.69 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.19 -31.38 70.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -69.27 -24.0 63.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 71' ' ' THR . 20.0 mt -71.33 -57.28 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.735 ' O ' HD11 ' A' ' 87' ' ' LEU . 4.3 ptm -66.46 -37.69 85.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -68.95 -52.08 32.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.565 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 32.4 tt0 -54.44 -26.62 31.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -70.53 -77.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.642 ' HB2' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -59.55 -7.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 3.8 t0 -80.05 -53.21 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 mmt -76.51 -29.78 56.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 178.14 -30.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.19 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.634 ' C ' ' HB2' ' A' ' 88' ' ' ASN . . . 92.0 -4.18 77.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 8.7 pt20 -37.48 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.243 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 83' ' ' GLY . 0.4 OUTLIER -49.5 -80.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.298 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.945 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.9 OUTLIER -147.83 -0.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.377 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -133.63 61.74 1.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.769 HD22 ' N ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -110.78 -113.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.769 ' N ' HD22 ' A' ' 88' ' ' ASN . 1.5 tt0 -74.33 -77.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.23 -20.78 33.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.874 HD22 ' NE2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -74.59 -35.76 62.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 3.0 t30 -55.17 -38.26 68.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.411 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . 50.7 m -72.11 -41.93 66.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.668 HG21 ' C ' ' A' ' 36' ' ' GLN . 42.6 mm -66.3 -37.36 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.945 HD11 ' HE3' ' A' ' 86' ' ' LYS . 8.5 mm -82.1 -29.72 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 100' ' ' SER . 2.1 ttpp -62.04 -34.03 75.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.626 1.204 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' O ' ' HB ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -83.38 -45.76 13.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.879 HG22 ' HA ' ' A' ' 95' ' ' ILE . 3.5 tp -70.98 -14.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -102.83 -29.86 11.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.1 t -87.11 -10.36 53.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.8 HG23 ' CG1' ' A' ' 103' ' ' VAL . 6.1 tp -65.67 -6.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 3.4 m 97.18 51.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 110.023 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.8 ' CG1' HG23 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -125.15 -39.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.489 ' CB ' ' CD1' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -123.6 -37.73 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.053 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 99' ' ' LEU . 0.6 OUTLIER -69.57 -16.51 63.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -125.98 13.98 7.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.72 -9.45 32.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 2.0 tt0 -171.99 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.235 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HB2' ' CB ' ' A' ' 11' ' ' ARG . 9.5 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m -98.4 -7.46 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -105.22 -77.51 0.58 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 7' ' ' GLU . 43.3 t80 -120.18 -64.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 6' ' ' PHE . 10.6 mm-40 -43.65 168.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -120.86 -75.58 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 12' ' ' LYS . 1.2 p-80 -98.42 -23.02 15.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.542 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.586 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 34.6 m-70 -56.53 -26.67 55.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.553 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.435 ' CB ' ' HB2' ' A' ' 3' ' ' CYS . 34.4 mtp180 -117.26 12.39 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 9' ' ' HIS . 20.4 tptt -95.24 -46.17 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.674 ' HB2' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -53.28 -37.76 62.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 108.019 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -75.04 -25.63 58.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.86 -34.3 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 20' ' ' SER . 2.8 tm? -77.47 -30.07 53.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.547 HD13 HG22 ' A' ' 71' ' ' THR . 0.8 OUTLIER -89.84 -16.29 30.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.538 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 3.0 tm-20 -97.4 -16.97 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.709 ' O ' HG22 ' A' ' 23' ' ' VAL . 35.2 mttt -103.61 -36.18 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 38.1 t -64.0 -63.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.658 HG21 ' NE2' ' A' ' 84' ' ' GLN . 3.7 p -121.96 40.11 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 18' ' ' GLU . . . -128.55 -1.9 5.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.853 HG21 ' HB3' ' A' ' 26' ' ' ALA . 12.2 m -125.09 -43.97 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 24' ' ' MET . 4.0 ttp 77.86 30.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.66 ' O ' HG12 ' A' ' 29' ' ' VAL . 0.0 OUTLIER 172.71 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.853 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -57.26 -16.52 8.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -166.27 22.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.518 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -120.99 -9.28 9.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.732 ' O ' HG13 ' A' ' 29' ' ' VAL . 4.5 p -120.99 54.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.367 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.663 ' O ' ' CB ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -107.25 -0.85 22.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 30' ' ' THR . 3.8 t 144.94 -14.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.515 ' CG ' HD13 ' A' ' 87' ' ' LEU . 0.5 OUTLIER 81.84 -69.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.244 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 7.1 mt-10 -69.84 -34.47 73.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -91.77 -22.1 20.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.619 ' O ' ' CG2' ' A' ' 39' ' ' THR . 6.7 tm-20 -78.29 -15.66 58.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.802 ' HG3' HG21 ' A' ' 94' ' ' ILE . 2.2 tp-100 -107.11 -36.96 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 11.7 tp -79.58 -57.67 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 1.8 m -55.11 -30.98 60.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.619 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 44.0 p -88.03 -21.87 24.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -82.76 -12.37 57.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -121.78 -31.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 38' ' ' SER . 2.6 m-20 -39.02 -71.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.09 -30.88 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.709 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.5 mmt -59.04 -24.05 62.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.605 1.191 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 10.3 t30 -58.87 -87.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.552 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.1 tp10 -82.12 -23.52 35.62 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 1.092 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.634 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -65.96 -41.62 95.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.738 HD12 ' C ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.82 -50.63 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 0.735 . . . . 0.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.512 ' C ' HG22 ' A' ' 52' ' ' ILE . 2.4 t0 -58.31 -33.85 69.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -80.28 -70.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.674 ' CD2' ' HB2' ' A' ' 13' ' ' TRP . 2.2 t80 -44.13 -39.53 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.62 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -64.79 -44.59 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -69.84 -9.25 54.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.68 -27.21 10.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.408 1.067 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.652 ' CE2' ' CB ' ' A' ' 61' ' ' ASP . 5.9 m-85 -120.93 -64.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 47.2 t-20 63.07 30.4 16.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.584 ' O ' ' CB ' ' A' ' 58' ' ' SER . 18.6 tp10 -129.64 -9.7 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 110.292 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.612 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.7 t 92.38 18.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.612 ' CB ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 95.77 55.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.583 ' CD1' ' C ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -85.07 -54.3 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.652 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . 1.4 t70 -35.82 -43.0 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.36 118.28 48.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 95.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -125.5 -70.08 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -140.25 -37.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.74 ' O ' ' HB3' ' A' ' 67' ' ' LEU . 3.6 tt0 176.56 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.142 HD22 ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER 161.77 -44.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 1.142 ' N ' HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -62.58 -64.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.589 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 99.3 m-20 -70.12 -29.48 66.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -48.97 -37.6 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.547 HG22 HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -122.43 -53.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.835 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . -46.24 -42.11 13.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.248 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.589 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.7 tt0 -58.79 -27.07 64.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -78.71 -55.21 5.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.51 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -70.63 -14.97 62.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 20.5 tttt -83.58 -52.12 6.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -58.95 -36.09 74.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.556 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -76.79 -52.66 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.645 ' HA ' ' C ' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -68.91 -3.53 13.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 10.0 t70 -113.88 -19.67 11.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 77' ' ' GLN . 1.3 tpp -98.55 -47.16 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.487 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 0.2 OUTLIER -129.74 -45.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.645 ' C ' ' HA ' ' A' ' 79' ' ' ARG . . . 157.0 -22.91 0.46 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.91 ' HB3' HD13 ' A' ' 91' ' ' LEU . 26.4 tp60 154.52 -30.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.777 . . . . 0.0 110.272 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.976 ' HB3' HD11 ' A' ' 91' ' ' LEU . 6.4 tm-20 -170.44 23.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.248 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 73.54 18.16 3.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.613 ' H ' HD12 ' A' ' 91' ' ' LEU . 12.0 tp -125.12 10.89 8.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.603 1.189 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.538 ' HB3' ' HA3' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -30.43 -44.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -39.45 -45.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -114.41 -15.53 12.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.976 HD11 ' HB3' ' A' ' 85' ' ' GLU . 2.2 mt -64.5 -45.47 87.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 96' ' ' LYS . 1.7 t30 -36.63 -34.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.22 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 91' ' ' LEU . 21.4 m -89.71 -37.97 14.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.802 HG21 ' HG3' ' A' ' 36' ' ' GLN . 2.0 mm -66.05 -41.32 89.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.911 HG22 ' O ' ' A' ' 91' ' ' LEU . 0.7 OUTLIER -77.21 -41.23 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.626 ' O ' ' CB ' ' A' ' 100' ' ' SER . 14.1 tttt -64.05 -26.94 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.82 ' O ' HD13 ' A' ' 101' ' ' ILE . 9.9 mm100 -84.17 -43.58 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.521 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 1.4 mp -81.86 0.86 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.534 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 2.2 tp -118.77 -23.35 7.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.626 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 23.3 t -99.02 -12.53 20.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.82 HD13 ' O ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -65.8 -6.82 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.616 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 3.4 m 95.16 39.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.569 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -111.86 -31.94 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.25 -52.62 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 106' ' ' GLU . 2.3 tt0 171.23 31.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.519 ' C ' ' O ' ' A' ' 105' ' ' GLU . 3.3 tp10 29.26 40.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 105' ' ' GLU . . . -102.45 53.51 0.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER 63.84 35.15 11.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 0.722 . . . . 0.0 110.263 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 1.7 ttpt 90.57 -39.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 109' ' ' LYS . 1.1 mt-10 165.01 76.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.47 -86.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 110' ' ' GLU . 37.8 t -119.2 132.82 23.82 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -52.72 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.772 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.1 ttp-105 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.562 ' CB ' ' HB3' ' A' ' 11' ' ' ARG . 35.5 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.5 m -68.62 -40.42 80.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' A' ' 6' ' ' PHE . 2.6 t80 -89.93 -90.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 1.065 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.518 ' N ' ' CG ' ' A' ' 5' ' ' PHE . 28.9 t80 -119.13 -67.75 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 1.2 mm-40 47.28 -174.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.097 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -111.8 -35.8 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.644 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 0.7 OUTLIER 158.61 -23.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.546 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 54' ' ' LEU . 4.9 m-70 -44.09 -34.31 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.385 1.053 . . . . 0.0 109.579 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -88.26 -26.38 22.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.355 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 9' ' ' HIS . 0.1 OUTLIER -46.78 -40.58 13.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.238 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.618 ' CH2' HD13 ' A' ' 52' ' ' ILE . 8.9 t90 -49.25 -36.21 19.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.006 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.606 ' OD1' HD22 ' A' ' 67' ' ' LEU . 16.3 m-20 -76.86 -26.55 54.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -63.45 -34.32 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.632 ' O ' HD13 ' A' ' 16' ' ' LEU . 2.6 tm? -85.76 -34.72 21.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.707 HD23 ' HB ' ' A' ' 71' ' ' THR . 1.1 tp -77.26 -7.36 55.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 23' ' ' VAL . 3.4 mt-10 -118.28 -21.23 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -96.83 -10.59 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 17.0 m -121.34 -41.75 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.837 HG22 ' O ' ' A' ' 21' ' ' THR . 1.1 m -123.88 44.92 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 18' ' ' GLU . . . -170.85 23.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.754 HG11 ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -124.92 -52.04 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 3.5 ttp 82.32 31.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.814 ' HA ' HG12 ' A' ' 29' ' ' VAL . 1.5 mt-10 163.8 -42.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB3' HG11 ' A' ' 23' ' ' VAL . . . -53.66 -24.75 15.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.448 1.092 . . . . 0.0 109.233 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.473 ' CE ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER 171.09 33.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.602 1.189 . . . . 0.0 110.952 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 84' ' ' GLN . 21.6 ttmt -118.59 -11.77 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.814 HG12 ' HA ' ' A' ' 25' ' ' GLU . 5.5 p -145.75 61.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.7 m -79.29 -60.13 2.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 110.338 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -156.94 22.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' HG2' HD13 ' A' ' 87' ' ' LEU . 3.8 mt-10 68.04 -63.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 3.3 tt0 -67.67 -35.76 79.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 38' ' ' SER . 1.1 mptt -90.36 -28.58 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.5 OUTLIER -72.04 -15.15 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.988 ' HB3' HG21 ' A' ' 94' ' ' ILE . 73.0 mt-30 -107.24 -39.36 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 15.6 tp -87.43 -61.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -53.46 -26.33 19.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.023 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -91.11 -26.04 19.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 0.0 110.428 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -85.24 -7.86 58.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.524 ' O ' ' C ' ' A' ' 42' ' ' ASP . 1.1 pt -123.67 -32.58 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -30.15 -73.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.615 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -116.88 -19.33 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.787 ' O ' HD22 ' A' ' 48' ' ' LEU . 8.6 mmt -60.98 -18.72 59.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -63.03 -86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.35 -12.41 59.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.657 ' O ' ' CG ' ' A' ' 51' ' ' PHE . . . -76.79 -47.69 9.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.09 HD23 ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -69.25 -35.64 76.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 1.09 ' N ' HD23 ' A' ' 48' ' ' LEU . 40.1 t0 -69.37 -40.73 77.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' ' 54' ' ' LEU . . . -79.75 -65.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.657 ' CG ' ' O ' ' A' ' 47' ' ' GLY . 21.5 m-30 -39.85 -53.46 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.618 HD13 ' CH2' ' A' ' 13' ' ' TRP . 2.0 mm -63.67 -41.37 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 30.5 tt0 -63.92 -12.2 35.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -111.77 -29.47 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.721 ' OH ' HD13 ' A' ' 67' ' ' LEU . 2.4 m-85 -93.18 -72.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.714 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 10.4 t30 134.12 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER 157.75 43.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 13.3 p 74.62 62.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -177.97 60.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -63.47 -48.66 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.363 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.6 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 2.4 t0 -118.85 -69.44 0.85 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 152.35 62.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.598 ' HD3' ' H ' ' A' ' 62' ' ' GLU . 18.2 Cg_endo -74.99 -64.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.443 1.759 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.618 ' O ' ' CB ' ' A' ' 65' ' ' ILE . 2.4 tp 90.12 39.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.618 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER 154.99 -23.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.657 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -81.27 -28.93 34.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.721 HD13 ' OH ' ' A' ' 55' ' ' TYR . 60.2 mt -156.68 -41.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.736 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 1.8 t0 -61.18 -53.44 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -95.69 -15.4 22.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 2.5 t0 -73.4 -23.27 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.707 ' HB ' HD23 ' A' ' 17' ' ' LEU . 30.1 p -114.21 -39.91 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.359 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 68' ' ' ASP . . . -77.38 -49.19 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -73.96 -24.51 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.33 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.656 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -77.53 -56.59 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -62.04 -29.51 70.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 77.1 mttt -73.16 -67.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 81' ' ' MET . 11.3 mm100 -58.87 -14.89 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -78.91 -67.53 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 79' ' ' ARG . 8.5 ttp-105 -73.84 3.52 6.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 6.8 t70 -106.93 -34.65 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.441 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 24.7 mmm -107.37 -64.1 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.584 ' CE1' ' HG2' ' A' ' 86' ' ' LYS . 0.2 OUTLIER 167.41 40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.951 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.487 ' O ' ' CE ' ' A' ' 28' ' ' LYS . . . -97.88 -34.8 5.32 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.62 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 4.4 mt-30 -80.28 -48.88 12.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.779 . . . . 0.0 110.368 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.679 ' HG3' HD11 ' A' ' 87' ' ' LEU . 4.6 tp10 170.55 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 88.08 28.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.679 HD11 ' HG3' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -118.42 39.76 3.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER -40.43 -28.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' LEU . 4.4 mt-10 -49.64 -38.44 32.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 94' ' ' ILE . 17.8 mttp -117.44 -26.23 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -72.43 -21.76 61.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 96' ' ' LYS . 27.6 t30 -70.71 -29.42 65.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.512 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 10.0 p -85.57 -36.93 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.34 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.988 HG21 ' HB3' ' A' ' 36' ' ' GLN . 1.1 pp -71.45 -40.71 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 91' ' ' LEU . 7.2 tp -75.06 -46.39 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.609 ' O ' ' CB ' ' A' ' 100' ' ' SER . 4.6 tttt -65.78 -24.9 67.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 93' ' ' THR . 33.4 tt0 -79.02 -40.49 31.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.415 1.072 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.675 HG23 HD12 ' A' ' 48' ' ' LEU . 1.6 mp -79.29 -9.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.503 HD12 HG22 ' A' ' 98' ' ' ILE . 8.3 mp -110.88 -17.93 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 23.2 t -105.81 -7.63 18.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.929 HG22 HG13 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -63.17 -5.07 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.7 t 96.6 26.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.929 HG13 HG22 ' A' ' 101' ' ' ILE . 13.7 m -116.37 -27.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.487 ' CB ' ' HG ' ' A' ' 99' ' ' LEU . 4.8 t -117.33 -35.83 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -60.76 -25.63 66.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -76.54 -13.16 60.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.62 55.12 2.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 66.71 37.23 4.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.777 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.6 70.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 63.66 -87.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.7 tp -158.85 -71.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.5 m -136.03 155.26 77.78 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.52 4.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.434 1.755 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.227 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.47 ' HB2' ' CG1' ' A' ' 15' ' ' ILE . 24.9 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 p -81.05 -97.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -115.48 -39.69 3.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -48.4 -67.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -102.68 -154.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.59 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.8 OUTLIER -114.83 -43.46 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.59 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 155.11 -19.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.661 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.483 ' N ' ' CD2' ' A' ' 10' ' ' HIS . 0.0 OUTLIER 66.48 45.95 2.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.625 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.596 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 4.2 tpt180 74.33 27.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.593 1.183 . . . . 0.0 110.251 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 16.9 mttt 68.39 32.57 4.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.374 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.691 ' CZ3' ' CD1' ' A' ' 52' ' ' ILE . 5.4 t90 -74.09 -59.08 2.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 108.024 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' ND1' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -69.79 -33.09 71.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.542 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 9.1 mt -67.02 -35.01 73.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.515 ' HG ' ' CE ' ' A' ' 44' ' ' MET . 3.1 tm? -86.27 -28.28 23.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.592 HD13 HG22 ' A' ' 71' ' ' THR . 0.4 OUTLIER -83.38 -8.36 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -114.8 -21.99 9.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 15' ' ' ILE . 9.4 mmmt -92.17 -46.54 7.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.489 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 54.4 m -90.06 -63.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 17' ' ' LEU . 2.5 p -83.66 34.45 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.9 16.66 1.39 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.928 HG11 ' HB2' ' A' ' 27' ' ' MET . 0.0 OUTLIER -113.1 -39.3 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.63 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER 82.35 41.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.63 ' CB ' ' O ' ' A' ' 24' ' ' MET . 16.0 tt0 97.47 -7.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.635 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -75.66 -18.11 59.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.928 ' HB2' HG11 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -160.84 19.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.576 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 1.1 ttpm? -116.18 -16.46 10.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.9 p -91.1 52.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 m -56.17 -54.36 46.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 0.0 110.445 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -177.9 33.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' CA ' ' HB3' ' A' ' 35' ' ' GLU . 1.3 mp0 62.88 -74.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -57.46 -36.38 71.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -93.84 -24.59 17.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.576 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 1.8 tt0 -60.7 -24.69 65.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.704 ' HB2' HG21 ' A' ' 94' ' ' ILE . 7.0 pt20 -114.37 -33.96 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 57.2 tp -70.87 -71.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 3.2 m -60.49 -17.97 48.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 3.1 m -90.38 -14.71 32.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.754 ' O ' HD12 ' A' ' 41' ' ' ILE . . . -123.08 3.25 9.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 40' ' ' ALA . 1.6 mp -122.22 -44.37 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.632 ' C ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t0 -20.03 -71.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.571 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 19.7 mtt85 -135.34 -5.75 2.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.608 1.192 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.756 ' CG ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -76.76 -18.94 58.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.754 ' HA ' HD11 ' A' ' 98' ' ' ILE . 8.1 t30 -50.32 -90.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -87.91 -15.68 35.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.625 ' O ' ' HB2' ' A' ' 51' ' ' PHE . . . -72.02 -40.61 56.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.756 HD13 ' CG ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -80.75 -55.21 4.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 47.9 t0 -48.28 -37.43 16.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -76.99 -74.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.374 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.625 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 8.3 m-85 -45.7 -55.6 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.919 HG23 ' CA ' ' A' ' 57' ' ' GLU . 35.8 mm -52.93 -43.56 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 18.2 tt0 -63.84 -11.44 27.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.93 -13.02 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.376 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -98.98 -73.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.62 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.6 OUTLIER 164.16 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.218 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.919 ' CA ' HG23 ' A' ' 52' ' ' ILE . 1.6 pt-20 96.13 -6.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.274 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.603 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 28.3 m -125.26 -15.14 6.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.603 ' CB ' ' O ' ' A' ' 58' ' ' SER . 1.3 tp10 94.35 77.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.407 1.067 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' A' ' 68' ' ' ASP . 4.7 mm -136.33 15.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.402 ' HB2' ' HA ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -103.3 -36.28 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.676 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -91.5 -57.63 0.24 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.676 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.3 Cg_endo -74.97 -75.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.596 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 1.2 tp 96.32 -6.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.55 HG22 ' C ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER 165.87 42.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.608 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -172.4 54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER 155.81 -12.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.648 ' HB2' HD11 ' A' ' 60' ' ' ILE . 33.7 t0 -61.81 -51.19 69.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -87.26 -20.66 26.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -17.58 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.592 HG22 HD13 ' A' ' 17' ' ' LEU . 14.2 m -115.91 -41.75 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -65.65 -39.1 91.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 28.3 tt0 -67.82 -20.12 65.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 9.3 mt -78.63 -55.67 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.477 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 2.5 ptm -74.37 -21.23 59.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 72' ' ' ALA . 3.3 ttmt -85.66 -63.85 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 18.9 tt0 -54.76 -27.34 40.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.654 ' HA ' ' CE1' ' A' ' 82' ' ' TYR . . . -83.71 -56.21 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.646 ' HD3' HG21 ' A' ' 95' ' ' ILE . 11.2 ttp180 -71.09 2.33 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 61.3 t0 -115.27 -37.97 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.647 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 4.7 tpt -68.84 -59.28 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.593 1.183 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.654 ' CE1' ' HA ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -123.17 -24.39 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.06 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.753 ' O ' HD23 ' A' ' 91' ' ' LEU . . . 111.23 39.87 1.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.555 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER 83.45 7.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 110.28 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.676 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 168.71 -49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.676 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 8.9 tttt 148.95 28.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.623 ' HB2' HD13 ' A' ' 91' ' ' LEU . 7.9 mt -130.94 26.39 4.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.373 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 1.6 p-10 -39.39 -29.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -52.81 -37.65 60.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' LEU . 65.5 mttt -116.68 -28.98 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 83' ' ' GLY . 2.2 mp -70.64 -49.05 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 41.5 t-20 -52.72 -29.21 25.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -85.87 -29.68 23.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 36' ' ' GLN . 2.3 tp -71.41 -37.63 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.646 HG21 ' HD3' ' A' ' 79' ' ' ARG . 9.5 mm -83.37 -38.3 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 100' ' ' SER . 75.8 tttt -71.2 -23.54 62.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 93' ' ' THR . 14.7 tt0 -85.07 -42.85 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.754 HD11 ' HA ' ' A' ' 45' ' ' ASN . 2.4 tp -68.8 -19.97 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.632 HD12 HG23 ' A' ' 98' ' ' ILE . 4.2 mp -100.46 -27.26 13.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 31.3 t -84.93 -13.76 49.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 110.045 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.613 ' O ' ' CB ' ' A' ' 102' ' ' SER . 4.3 tp -62.76 -11.35 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.1 m 149.02 38.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.629 HG11 HG21 ' A' ' 52' ' ' ILE . 1.4 t -146.83 8.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.57 ' O ' ' C ' ' A' ' 105' ' ' GLU . 16.2 m -116.16 -47.82 2.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.605 ' O ' ' N ' ' A' ' 107' ' ' GLY . 6.4 tp10 -24.08 -52.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 105' ' ' GLU . 1.2 tm-20 29.33 36.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 105' ' ' GLU . . . 65.45 -54.44 0.13 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 6.4 mt-10 -94.84 -19.47 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.1 OUTLIER 95.61 -65.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 173.97 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -151.08 128.2 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 111' ' ' LEU . 0.9 OUTLIER 163.84 -52.05 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.95 137.51 21.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 111.044 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' ' CD1' ' A' ' 15' ' ' ILE . 48.4 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -54.57 -66.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.94 -72.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -118.69 -64.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 50.02 -172.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.24 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.576 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -116.21 -75.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.62 ' CD2' ' CG ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -40.72 -28.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.64 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -48.02 -22.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 6.5 tpt180 -39.89 -28.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 8.6 mttt 159.16 -20.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 1.023 ' CZ3' ' CE1' ' A' ' 51' ' ' PHE . 1.1 t90 -69.13 -47.67 64.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 108.001 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.62 ' CG ' ' CD2' ' A' ' 9' ' ' HIS . 6.0 t0 -69.65 -30.42 68.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 11.9 mm -72.86 -40.44 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.607 ' HG ' ' CB ' ' A' ' 43' ' ' ARG . 1.3 tm? -75.24 -33.29 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.391 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.857 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -80.45 -18.32 49.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 5.2 mm-40 -96.69 -13.77 22.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.242 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.933 ' O ' HG22 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -104.55 -68.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.482 ' N ' ' SD ' ' A' ' 27' ' ' MET . 38.7 m -51.85 -89.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.744 HG21 ' OE1' ' A' ' 84' ' ' GLN . 1.6 p -69.48 0.74 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.444 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' HA3' ' C ' ' A' ' 18' ' ' GLU . . . -77.84 -15.67 80.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.617 1.198 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.933 HG22 ' O ' ' A' ' 19' ' ' LYS . 3.4 m -127.85 -50.31 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 0.798 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.511 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 3.4 ttp 81.85 22.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 177.66 -40.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.841 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -54.1 -20.43 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 20' ' ' SER . 6.2 ptm -162.24 10.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HE2' HG23 ' A' ' 21' ' ' THR . 2.2 tptp -92.76 -11.44 33.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.0 p -101.89 33.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -80.65 54.27 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.3 OUTLIER 79.93 -5.66 1.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER 74.35 -54.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.549 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 15.5 mt-10 -57.71 -41.2 81.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.66 -21.24 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.682 ' OE2' HD11 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -66.6 -17.32 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.697 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.4 pt20 -120.92 -32.08 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 33' ' ' GLU . 81.1 mt -74.6 -66.95 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.563 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.7 m -66.26 -14.44 61.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -95.04 -14.75 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -121.66 6.44 9.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.48 HG22 ' HA ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -131.18 -44.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' A' ' 38' ' ' SER . 4.7 t0 -78.01 2.61 17.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.632 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 5.5 mpt_? -132.64 -41.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.986 ' HB2' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -64.86 -27.75 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.479 ' N ' ' HG3' ' A' ' 44' ' ' MET . 1.0 OUTLIER -43.74 -87.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 3.0 mt-10 -93.35 -15.42 25.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.632 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -72.14 -38.04 59.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.986 HD22 ' HB2' ' A' ' 44' ' ' MET . 3.3 mp -87.02 -50.6 6.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' O ' HD12 ' A' ' 52' ' ' ILE . 50.0 m-20 -53.37 -50.48 65.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 46' ' ' GLU . . . -70.42 -38.47 74.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 1.023 ' CE1' ' CZ3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -44.49 -47.41 10.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 111.063 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.729 HG13 ' CD2' ' A' ' 51' ' ' PHE . 0.5 OUTLIER -70.2 -45.56 75.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' C ' HD22 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.73 -2.09 18.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' ALA . 4.3 mm? -122.87 -14.83 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.689 ' CZ ' ' HA ' ' A' ' 58' ' ' SER . 0.6 OUTLIER -124.76 -72.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 8.9 m-20 147.35 -50.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.9 pt-20 164.19 39.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.689 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . 6.7 p 52.61 69.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.674 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 1.0 OUTLIER -168.91 47.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.748 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER 151.36 25.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.682 ' N ' ' CE1' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -31.8 -37.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.6 OUTLIER -177.71 -55.85 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.4 Cg_endo -75.03 -89.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 63' ' ' PRO . 0.3 OUTLIER 169.45 -42.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.3 tt -139.09 13.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.934 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -110.22 -9.19 14.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.934 HD22 ' O ' ' A' ' 66' ' ' GLN . 2.7 mm? -139.98 -38.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.452 ' CG ' ' HA ' ' A' ' 59' ' ' GLU . 4.4 t0 -61.32 -57.27 13.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -83.48 -12.84 55.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.375 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.406 ' HB2' ' C ' ' A' ' 66' ' ' GLN . 2.0 t0 -76.58 -29.13 56.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.3 m -98.86 -36.66 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.09 79.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 47.4 mt-10 -73.91 -21.23 60.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 110.285 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.434 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -75.03 -51.22 14.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.37 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.497 ' CE ' ' HB2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -72.22 -26.34 62.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -83.13 -59.62 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.562 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 7.0 tm0? -49.9 -42.08 47.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.615 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -72.79 -48.64 36.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -62.33 -7.87 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 64.0 t0 -112.72 -26.85 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.558 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 8.6 ptm -70.94 -27.6 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.605 ' CD1' ' HA ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 174.67 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.465 ' HA2' ' HA ' ' A' ' 79' ' ' ARG . . . 122.76 74.7 0.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.435 1.085 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.744 ' OE1' HG21 ' A' ' 21' ' ' THR . 0.9 OUTLIER 54.51 14.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.1 tt0 154.2 -52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER 154.56 41.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.998 ' HB3' HD12 ' A' ' 91' ' ' LEU . 15.6 tp -127.26 10.34 6.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.567 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -37.45 -32.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' LEU . 2.2 tt0 -46.79 -40.92 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.632 ' HB2' HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -123.08 -18.15 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.998 HD12 ' HB3' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -80.84 -27.99 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 54.3 t30 -64.37 -37.16 86.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -82.08 -37.83 25.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.494 HD13 ' NE2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -68.77 -39.88 80.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 91' ' ' LEU . 2.3 pp -71.49 -42.41 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 100' ' ' SER . 56.2 tttm -63.79 -29.08 70.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.99 ' O ' HG23 ' A' ' 101' ' ' ILE . 0.2 OUTLIER -83.21 -44.01 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.909 HG23 HD21 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -70.35 -12.81 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 95' ' ' ILE . 12.8 mt -109.23 -17.18 13.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 44.5 t -101.54 -9.32 21.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.99 HG23 ' O ' ' A' ' 97' ' ' GLN . 7.7 pt -63.04 -8.36 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 2.3 t 95.42 33.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.862 HG21 HD23 ' A' ' 48' ' ' LEU . 28.1 m -116.37 -35.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.1 t -114.61 -32.01 6.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 109' ' ' LYS . 32.1 mt-10 -79.38 -2.71 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.177 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -13.39 30.18 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 108' ' ' GLU . . . -83.54 49.46 4.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.578 1.173 . . . . 0.0 110.952 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.507 ' O ' HG12 ' A' ' 112' ' ' VAL . 4.1 tt0 81.19 44.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 105' ' ' GLU . 0.2 OUTLIER 43.06 64.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.51 -74.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 112' ' ' VAL . 0.1 OUTLIER -150.08 -50.11 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.709 HG13 ' O ' ' A' ' 112' ' ' VAL . 8.7 p 31.84 80.72 0.24 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.08 21.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' CG2' ' A' ' 15' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -70.45 -53.86 14.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -49.64 -65.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' PHE . 2.0 t80 -36.27 -61.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 177.77 -72.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' C ' ' CG ' ' A' ' 9' ' ' HIS . 39.6 mttm -120.57 -93.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.45 ' CG ' ' HG2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER 178.77 35.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 0.0 109.607 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 4.7 m80 47.65 49.06 16.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.578 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 6.3 mmt180 68.64 20.31 8.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.526 ' HA ' ' CG1' ' A' ' 15' ' ' ILE . 25.6 mttt 69.25 41.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.671 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -87.27 -53.43 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.097 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 17.3 t70 -69.98 -25.58 63.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.697 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -81.42 -42.16 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 20' ' ' SER . 1.9 tm? -62.66 -30.54 71.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.558 HD21 ' HB3' ' A' ' 75' ' ' MET . 4.9 tp -96.51 -20.71 18.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.572 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 9.7 tt0 -122.27 35.52 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.697 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -162.03 -35.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.739 ' HB3' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -96.1 -34.38 11.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 17' ' ' LEU . 14.5 p -122.58 62.49 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.48 32.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.159 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.605 ' CG2' ' HA ' ' A' ' 19' ' ' LYS . 37.9 t -124.1 -85.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.737 . . . . 0.0 109.338 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.642 ' SD ' ' HB2' ' A' ' 26' ' ' ALA . 4.0 ptm -128.38 -11.77 5.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.943 ' O ' HG12 ' A' ' 29' ' ' VAL . 1.4 mt-10 95.12 2.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.354 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.642 ' HB2' ' SD ' ' A' ' 24' ' ' MET . . . -60.76 -18.4 54.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.425 ' CE ' ' HB3' ' A' ' 26' ' ' ALA . 1.7 mpp? -123.0 -11.19 8.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.57 ' CG ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -98.71 -15.8 19.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.943 HG12 ' O ' ' A' ' 25' ' ' GLU . 1.5 p -119.35 27.98 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.6 m -59.01 85.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER 49.17 20.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.519 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 12.5 mt-10 64.82 -66.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 110.323 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.1 mt-10 -47.3 -42.76 21.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -93.18 -19.26 21.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.859 ' OE2' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -60.14 -24.85 65.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.873 ' HB2' HG21 ' A' ' 94' ' ' ILE . 2.8 pp0? -119.64 -34.01 3.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.821 ' HG ' HD12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -69.21 -62.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 18.0 m -71.29 -16.85 62.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 2.1 m -91.82 -13.08 32.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -120.1 2.64 10.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.821 HD12 ' HG ' ' A' ' 37' ' ' LEU . 60.1 mt -122.26 -40.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -22.44 -72.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.593 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 11.1 mmt180 -128.29 -6.94 5.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.661 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 10.7 mtt -68.27 -17.65 64.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 1.6 t-20 -58.24 -91.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -80.87 -17.09 51.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.649 ' O ' ' CG ' ' A' ' 51' ' ' PHE . . . -74.68 -43.63 28.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.672 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -64.69 -41.0 96.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.346 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.483 ' O ' HG22 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -63.68 -41.65 98.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.353 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -81.87 -71.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.671 ' HB3' ' CE3' ' A' ' 13' ' ' TRP . 22.1 m-85 -34.45 -43.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.672 ' HB ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -64.59 -49.47 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 50' ' ' ALA . 4.1 tt0 -68.85 -6.63 28.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.6 -33.65 8.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.629 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 77.9 m-85 -121.79 -64.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.629 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 7.7 t30 145.24 -13.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.663 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 3.1 tp10 75.48 23.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.493 ' OG ' ' HB2' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -132.21 -32.02 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.643 ' C ' HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -112.08 -50.05 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.262 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.793 ' N ' HD12 ' A' ' 60' ' ' ILE . 1.8 mp 73.0 2.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.718 ' OD1' HD13 ' A' ' 67' ' ' LEU . 10.4 t70 -97.21 -62.07 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.582 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER 153.58 -59.48 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.743 ' O ' HD23 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 63' ' ' PRO . 0.2 OUTLIER 93.04 35.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.7 mm -113.66 -12.74 11.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.882 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -154.45 56.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.882 HD12 ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER 173.65 -20.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.198 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.597 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 30.1 t0 -60.42 -56.32 22.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 1.1 t70 -83.97 -20.78 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.44 ' CB ' ' HA ' ' A' ' 67' ' ' LEU . 1.2 t0 -68.55 -26.24 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 m -112.36 -48.32 3.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.597 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -55.01 -44.64 74.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -66.4 -16.19 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -55.41 5.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.558 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -77.26 -22.11 52.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 5.4 mmtp -82.7 -59.96 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.577 ' O ' ' CG ' ' A' ' 81' ' ' MET . 31.7 tt0 -54.67 -39.92 68.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.714 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -69.67 -58.99 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -67.56 -0.79 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 12.1 t0 -104.22 -40.72 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.577 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -58.27 -53.45 58.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -150.51 -5.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 111.008 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 84' ' ' GLN . . . 111.81 37.51 1.55 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.714 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 0.1 OUTLIER 92.83 -34.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 110.287 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.524 ' CB ' ' HD2' ' A' ' 28' ' ' LYS . 8.5 tp10 -174.22 26.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.592 ' CG ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER 79.21 36.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.859 HD22 ' OE2' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -122.77 6.03 9.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.571 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER -41.74 -28.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -49.29 -39.05 29.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -123.11 -20.65 5.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.832 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -78.16 -28.85 48.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 55.4 t30 -68.89 -37.72 79.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 3.0 m -78.71 -35.55 44.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.873 HG21 ' HB2' ' A' ' 36' ' ' GLN . 25.8 mm -75.01 -36.78 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 91' ' ' LEU . 15.2 tt -74.9 -48.31 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.599 ' O ' ' CB ' ' A' ' 100' ' ' SER . 2.6 tttt -66.16 -26.13 67.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 93' ' ' THR . 15.1 tt0 -78.44 -42.81 28.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.469 HG21 ' SD ' ' A' ' 44' ' ' MET . 1.1 tp -73.62 -10.89 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.551 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -111.95 -12.72 13.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 70.7 m -110.96 -7.42 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.698 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.4 tp -61.21 -29.12 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 4.3 m 138.95 41.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.059 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.592 HG11 HD12 ' A' ' 48' ' ' LEU . 6.7 m -124.26 -46.36 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 99' ' ' LEU . 1.4 t -80.67 21.27 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 103' ' ' VAL . 0.3 OUTLIER 73.89 35.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 108' ' ' GLU . 1.4 tt0 -40.62 -34.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.28 -21.44 1.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 2.4 mt-10 -114.13 -72.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.623 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER 153.67 115.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 104' ' ' SER . 1.6 tt0 65.35 -78.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.514 HD23 ' CD ' ' A' ' 113' ' ' PRO . 0.5 OUTLIER -176.83 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 112' ' ' VAL . 91.6 t 65.1 65.76 0.93 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.514 ' CD ' HD23 ' A' ' 111' ' ' LEU . 18.2 Cg_endo -75.05 175.74 10.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.223 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.508 ' HB3' ' CB ' ' A' ' 12' ' ' LYS . 3.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.6 m -82.89 -78.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -92.51 -0.01 57.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.53 ' CD2' ' HD2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -79.48 -43.95 22.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' CG ' ' C ' ' A' ' 6' ' ' PHE . 2.2 pt-20 41.0 80.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' HD2' ' CD2' ' A' ' 6' ' ' PHE . 4.9 mtpt -122.2 -70.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 49.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.611 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.584 ' CE1' ' HA2' ' A' ' 47' ' ' GLY . 28.7 m80 56.24 67.77 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.546 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 0.0 OUTLIER 66.84 15.38 10.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.581 ' O ' ' N ' ' A' ' 15' ' ' ILE . 2.5 tttt 69.21 94.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.973 ' CE3' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -47.44 -35.11 8.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 10.3 t70 -61.55 -26.32 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -76.65 -37.0 28.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.36 -32.55 58.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.812 HD12 ' HB ' ' A' ' 21' ' ' THR . 55.1 tp -84.04 -19.81 33.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 5.1 tm-20 -95.39 -18.7 20.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -91.89 -34.15 14.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.52 ' HA ' ' CB ' ' A' ' 27' ' ' MET . 47.2 t -93.74 -71.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.064 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.812 ' HB ' HD12 ' A' ' 17' ' ' LEU . 63.2 m -84.28 24.2 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.96 -5.11 4.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 26' ' ' ALA . 3.7 t -122.25 -41.13 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.427 ' HE3' ' N ' ' A' ' 24' ' ' MET . 0.0 OUTLIER 72.26 30.63 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.847 ' HA ' HG23 ' A' ' 29' ' ' VAL . 14.3 tt0 -178.11 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.881 ' HB2' HG11 ' A' ' 23' ' ' VAL . . . -64.85 -24.65 67.61 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.52 ' CB ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -156.03 15.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.57 ' HE3' ' CG ' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -110.39 -16.66 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.388 1.055 . . . . 0.0 109.275 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.847 HG23 ' HA ' ' A' ' 25' ' ' GLU . 55.2 t -99.11 46.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.497 HG23 ' HA ' ' A' ' 35' ' ' GLU . 4.0 t -132.39 71.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.797 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.3 m 55.93 102.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.6 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -25.27 -73.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.9 ' O ' HD13 ' A' ' 37' ' ' LEU . 5.4 mt-10 -45.9 -35.16 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.752 ' N ' ' O ' ' A' ' 31' ' ' SER . 6.5 mttt -89.06 -24.69 22.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.364 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.797 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -58.67 -17.56 23.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 2.5 tp-100 -121.56 -35.69 3.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.9 HD13 ' O ' ' A' ' 33' ' ' GLU . 11.0 mp -69.34 -64.54 0.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -23.28 67.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -80.93 -19.03 45.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.581 ' CB ' HG23 ' A' ' 98' ' ' ILE . . . -121.96 5.73 9.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 1.031 HG23 ' OD1' ' A' ' 45' ' ' ASN . 60.5 mt -109.27 -43.81 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.599 ' C ' ' O ' ' A' ' 41' ' ' ILE . 8.7 t70 -24.01 -64.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -137.43 -7.24 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.646 ' O ' ' CB ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -77.81 -18.29 56.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 1.031 ' OD1' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -46.2 -77.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -88.51 -22.83 23.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.584 ' HA2' ' CE1' ' A' ' 10' ' ' HIS . . . -72.45 -44.79 40.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.941 HD22 ' O ' ' A' ' 99' ' ' LEU . 1.3 tt -68.86 -51.21 42.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 0.805 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -55.51 -34.84 64.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.239 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.452 ' HB3' ' HE1' ' A' ' 10' ' ' HIS . . . -74.58 -72.56 0.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.973 ' CE1' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -46.55 -51.39 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.804 ' HB ' HD23 ' A' ' 48' ' ' LEU . 2.0 tt -54.26 -42.22 55.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' CD ' ' CG1' ' A' ' 103' ' ' VAL . 1.7 tt0 -78.86 -2.5 40.09 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -112.11 -15.96 13.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.616 ' CE1' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -121.27 -71.19 0.74 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.614 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 1.4 m120 150.85 -18.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.614 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.0 OUTLIER 95.18 10.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.8 m -174.14 33.6 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.616 ' O ' ' CE1' ' A' ' 55' ' ' TYR . 4.9 tt0 -136.35 39.29 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.258 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.687 ' CG1' ' CZ3' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -70.04 -46.43 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.736 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 28.8 t0 -61.6 -48.49 80.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.391 1.057 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.736 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 12.0 tt0 110.68 -52.01 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.4 Cg_endo -74.95 -42.98 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER 76.58 41.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 65' ' ' ILE . 2.6 mt -130.61 2.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -172.03 63.52 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 110.384 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 66' ' ' GLN . 3.5 mt 161.46 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.568 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.5 t70 -64.91 -45.59 85.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.3 m-20 -84.8 -17.69 37.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.5 -34.41 70.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.6 m -101.23 -33.85 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -68.88 -30.89 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.362 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 22.8 tt0 -63.41 -24.01 67.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 52.1 mt -86.09 -57.06 3.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -61.67 -29.09 69.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 50.0 mtpt -82.33 -62.05 1.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.554 ' O ' ' HB3' ' A' ' 81' ' ' MET . 37.5 tt0 -53.55 -29.54 37.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.592 ' CB ' ' CG2' ' A' ' 21' ' ' THR . . . -80.01 -57.63 3.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.606 ' HA ' ' CA ' ' A' ' 83' ' ' GLY . 1.3 ttp180 -72.76 5.87 2.89 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 21.6 t0 -116.72 -45.14 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.554 ' HB3' ' O ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.14 -32.2 71.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.595 ' CG ' ' HA ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 176.29 30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.655 ' O ' ' HB2' ' A' ' 84' ' ' GLN . . . 86.54 -29.96 4.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.655 ' HB2' ' O ' ' A' ' 83' ' ' GLY . 0.0 OUTLIER 164.27 -14.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -172.63 -40.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.615 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER 154.84 39.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.769 ' HB2' HD13 ' A' ' 91' ' ' LEU . 15.2 mt -128.31 -2.82 5.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.501 ' C ' ' O ' ' A' ' 87' ' ' LEU . 14.9 p-10 -32.98 -39.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 87' ' ' LEU . 12.6 pt-20 -42.18 -46.89 4.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -121.39 -12.82 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.769 HD13 ' HB2' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -79.09 -19.64 50.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -59.82 -43.05 94.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.496 ' O ' ' CG ' ' A' ' 97' ' ' GLN . 5.9 p -88.82 -29.42 19.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.423 ' O ' ' HB ' ' A' ' 98' ' ' ILE . 1.2 mp -74.42 -29.27 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 91' ' ' LEU . 10.2 tt -77.58 -45.26 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.552 ' HB2' HD13 ' A' ' 111' ' ' LEU . 7.9 pttp -72.42 -20.42 61.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.621 ' O ' ' CA ' ' A' ' 101' ' ' ILE . 77.4 mt-30 -89.74 -43.03 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.901 HD11 ' CG1' ' A' ' 41' ' ' ILE . 3.7 tp -81.45 -8.77 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 48' ' ' LEU . 4.4 tt -97.05 -41.83 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.659 ' O ' HG22 ' A' ' 101' ' ' ILE . 0.4 OUTLIER -126.93 -32.45 2.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.673 HG22 HG23 ' A' ' 103' ' ' VAL . 0.4 OUTLIER 61.99 20.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.57 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 1.4 t 91.45 18.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.673 HG23 HG22 ' A' ' 101' ' ' ILE . 82.4 t -98.19 -11.88 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.618 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 0.3 OUTLIER -67.42 -6.39 19.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.952 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.618 ' CB ' ' O ' ' A' ' 104' ' ' SER . 25.5 tt0 96.36 17.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 72.23 -50.62 0.7 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 43.74 25.7 0.63 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 58.26 42.59 21.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.555 0.797 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt 58.19 35.43 25.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.88 -54.57 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -40.87 -66.36 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.1 m -125.09 92.28 47.73 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -50.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.438 1.757 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.451 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 16.6 t . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.524 HG23 ' HD1' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -65.84 -35.37 80.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.456 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.524 ' HD1' HG23 ' A' ' 4' ' ' THR . 11.1 m-85 -119.62 -87.4 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -122.08 -64.68 1.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.451 ' HB2' ' N ' ' A' ' 3' ' ' CYS . 20.1 mp0 52.95 176.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.06 -56.68 1.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.603 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 6.1 m-70 -102.54 -38.22 7.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -47.61 -32.9 6.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.536 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.861 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -99.98 31.18 3.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' O ' HG22 ' A' ' 15' ' ' ILE . 6.5 mmtt -124.91 -63.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.691 ' CH2' HG22 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -71.15 -69.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 107.924 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -47.03 -32.62 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.861 HD13 ' HA ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -70.21 -37.55 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -74.39 -35.84 63.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.578 HD23 ' CG2' ' A' ' 71' ' ' THR . 10.1 tp -81.16 -14.55 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 2.6 mm-40 -103.53 -9.72 19.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HA ' HG23 ' A' ' 23' ' ' VAL . 2.6 mtpt -109.64 -66.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.676 ' OG ' HG23 ' A' ' 39' ' ' THR . 47.8 m -55.75 -91.49 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.541 1.151 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.42 ' CG2' HD12 ' A' ' 17' ' ' LEU . 7.1 t -85.47 29.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 110.354 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -119.49 -14.13 5.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.638 HG11 ' HB2' ' A' ' 26' ' ' ALA . 3.2 t -124.79 -41.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.184 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.526 ' HB3' ' O ' ' A' ' 23' ' ' VAL . 3.8 ttp 81.13 29.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.843 ' O ' HG12 ' A' ' 29' ' ' VAL . 27.9 tt0 -179.57 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.638 ' HB2' HG11 ' A' ' 23' ' ' VAL . . . -61.5 -25.44 67.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.465 ' CB ' ' HA ' ' A' ' 20' ' ' SER . 1.2 mmt -152.21 14.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.742 ' CE ' HD13 ' A' ' 87' ' ' LEU . 9.2 tptt -114.01 -12.43 12.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.843 HG12 ' O ' ' A' ' 25' ' ' GLU . 1.7 p -107.95 46.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.659 ' O ' ' CB ' ' A' ' 31' ' ' SER . 18.1 m -112.42 -24.9 9.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.73 ' O ' ' N ' ' A' ' 34' ' ' LYS . 2.9 m 144.9 109.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 31' ' ' SER . 1.1 mt-10 -29.94 -64.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.889 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -47.25 -31.62 3.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.73 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -94.67 -27.09 16.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.681 ' N ' ' O ' ' A' ' 31' ' ' SER . 22.7 mt-10 -71.05 -5.65 33.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.645 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 13.7 pt20 -123.72 -41.93 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.889 HD12 ' O ' ' A' ' 33' ' ' GLU . 1.4 mt -84.98 -56.17 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 3.8 m -69.84 -18.97 63.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.676 HG23 ' OG ' ' A' ' 20' ' ' SER . 16.6 m -92.39 -22.58 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.842 ' HB1' HG21 ' A' ' 98' ' ' ILE . . . -107.95 1.2 22.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.592 ' O ' ' C ' ' A' ' 42' ' ' ASP . 4.1 mm -120.4 -44.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -24.72 -69.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.602 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -131.51 -15.86 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.694 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 15.0 mtt -70.54 -20.53 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.436 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 4.6 t30 -52.93 -86.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 2.1 tt0 -84.03 -20.65 32.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.7 ' O ' ' HB2' ' A' ' 51' ' ' PHE . . . -69.87 -53.42 15.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.694 ' HB2' ' O ' ' A' ' 44' ' ' MET . 1.5 tp -62.05 -53.94 48.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.357 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 8.3 m-20 -49.25 -40.08 32.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -78.96 -75.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.7 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -37.09 -53.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.954 HG21 HG13 ' A' ' 103' ' ' VAL . 2.3 mm -59.36 -44.85 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 21.3 tt0 -65.37 -10.43 33.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -29.04 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CZ ' ' O ' ' A' ' 60' ' ' ILE . 9.6 m-85 -121.91 -68.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.791 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.7 OUTLIER 151.76 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.724 ' CA ' HD12 ' A' ' 52' ' ' ILE . 3.0 tm-20 98.0 37.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 36.1 m -158.17 -50.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.731 ' C ' HG23 ' A' ' 60' ' ' ILE . 1.2 pm0 -68.71 -58.31 4.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.731 HG23 ' C ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER 76.3 -9.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.563 ' CG ' HD11 ' A' ' 65' ' ' ILE . 11.6 t70 -148.27 -50.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 1.5 tt0 157.4 -59.78 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.715 ' O ' HD12 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 -80.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -168.32 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 65' ' ' ILE . 20.6 mm 73.52 13.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 59.59 21.22 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.459 ' O ' ' OG1' ' A' ' 71' ' ' THR . 0.0 OUTLIER -140.87 2.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.663 ' HB3' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -67.59 -27.43 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 15.6 m-20 -84.31 -20.73 31.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -78.96 -31.66 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.356 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.578 ' CG2' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -95.21 -38.75 10.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -67.69 -36.52 80.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 3.4 tt0 -73.26 -26.27 61.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.655 HD22 HE22 ' A' ' 84' ' ' GLN . 17.5 mt -70.41 -59.07 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.543 ' HB3' HD11 ' A' ' 17' ' ' LEU . 2.8 ptt? -66.61 -34.04 76.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' N ' ' HG3' ' A' ' 75' ' ' MET . 5.8 ttmm -71.48 -68.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 7.1 pt20 -51.94 -20.13 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.65 ' HB1' ' HB2' ' A' ' 84' ' ' GLN . . . -76.23 -80.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.417 1.073 . . . . 0.0 109.333 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.507 ' HA ' ' HA2' ' A' ' 83' ' ' GLY . 6.4 ptm180 -56.11 -6.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 78' ' ' ALA . 6.9 m-20 -88.66 -51.89 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.564 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -73.05 -58.82 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.564 ' CE2' ' HG2' ' A' ' 81' ' ' MET . 0.0 OUTLIER -167.59 21.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 87' ' ' LEU . . . 85.1 41.18 7.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.655 HE22 HD22 ' A' ' 74' ' ' LEU . 5.8 tp60 77.51 -17.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.757 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 86' ' ' LYS . 1.1 pm0 -179.26 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.83 ' O ' HD13 ' A' ' 91' ' ' LEU . 4.3 tttp -177.68 29.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.883 HD12 ' CD2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -91.68 34.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 4.0 t30 -122.64 -43.53 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -34.39 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -115.46 -10.75 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.883 ' CD2' HD12 ' A' ' 87' ' ' LEU . 1.3 mp -80.49 -17.69 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 20.3 t30 -64.44 -36.31 83.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 29.7 m -86.63 -35.88 19.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.392 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.766 ' O ' HG22 ' A' ' 98' ' ' ILE . 1.2 mp -70.8 -35.77 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.617 HD11 HD11 ' A' ' 87' ' ' LEU . 4.9 mm -81.9 -38.07 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 100' ' ' SER . 12.5 ttpt -74.35 -18.96 60.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 93' ' ' THR . 30.4 tt0 -88.68 -45.51 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.842 HG21 ' HB1' ' A' ' 40' ' ' ALA . 5.6 tp -66.24 -25.79 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.663 ' CD1' HG23 ' A' ' 98' ' ' ILE . 10.0 mp -91.23 -37.1 13.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 43.9 t -77.27 -10.47 59.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.607 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.4 OUTLIER -66.98 -11.4 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.607 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 4.4 p 147.96 46.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.954 HG13 HG21 ' A' ' 52' ' ' ILE . 1.6 t -147.21 -45.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.24 -32.3 15.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 104' ' ' SER . 1.2 tt0 -37.2 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -156.91 72.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 108' ' ' GLU . . . -83.32 22.4 7.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.622 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 4.9 tt0 90.03 6.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.622 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER 154.11 118.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 109' ' ' LYS . 2.7 tt0 159.16 77.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.2 mp 54.04 175.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 112' ' ' VAL . 3.1 p -177.7 64.43 0.19 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 112' ' ' VAL . 18.5 Cg_endo -75.0 -68.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.542 1.811 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 t -57.98 -35.53 71.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.067 . . . . 0.0 110.42 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.5 -75.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 9.0 m-85 -115.15 -86.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER 167.78 70.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.77 -93.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 1.043 ' CE1' HD23 ' A' ' 54' ' ' LEU . 5.4 m170 -103.62 -17.31 15.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 109.61 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.603 ' N ' ' CD2' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -74.73 -23.08 58.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.538 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 20.24 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.398 1.061 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' N ' ' HB ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -141.88 -70.05 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.778 ' HE1' HD12 ' A' ' 48' ' ' LEU . 1.5 t90 -58.86 -71.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 107.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 25.7 t0 -54.5 -21.84 11.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.55 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 1.2 mm -77.41 -25.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' CD1' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -81.68 -30.19 32.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.911 HD11 ' HB3' ' A' ' 75' ' ' MET . 41.5 tp -95.37 -12.29 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.577 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 6.9 tt0 -106.22 -16.84 14.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 2.3 tttt -115.16 -20.78 10.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.615 ' CA ' ' HB3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -121.34 60.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.988 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.786 HG23 HG23 ' A' ' 23' ' ' VAL . 1.1 t -122.86 19.18 10.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.511 ' N ' ' HG2' ' A' ' 27' ' ' MET . . . 84.41 -9.52 64.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.786 HG23 HG23 ' A' ' 21' ' ' THR . 42.9 t -76.95 -49.7 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.46 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 2.2 mpp? -83.53 -10.64 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.676 ' O ' HG12 ' A' ' 29' ' ' VAL . 0.1 OUTLIER 79.31 -3.38 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -67.85 -12.03 59.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.615 ' HB3' ' CA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -127.24 -3.27 6.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.98 -1.81 8.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -123.23 24.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 34' ' ' LYS . 9.0 m -110.17 27.63 9.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.419 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER 79.14 -0.39 2.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.6 mt-10 77.72 -52.36 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.48 -43.0 86.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.238 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' HB3' HG22 ' A' ' 30' ' ' THR . 8.4 mttp -82.03 -16.94 48.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.581 ' CG ' ' O ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -71.16 -45.6 63.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.925 ' CD ' HD13 ' A' ' 91' ' ' LEU . 13.7 mm-40 -80.14 -36.79 34.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.636 HD12 HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -59.28 -47.54 84.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.651 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 1.3 m -70.19 -46.58 64.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.81 HG22 ' HA ' ' A' ' 36' ' ' GLN . 1.3 t -68.16 -1.59 6.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HB2' ' CG2' ' A' ' 94' ' ' ILE . . . -120.52 -12.16 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.636 HD12 HD12 ' A' ' 37' ' ' LEU . 3.3 mt -128.77 -52.62 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.651 ' CB ' ' O ' ' A' ' 38' ' ' SER . 28.1 t0 -23.13 -68.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.658 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 14.9 mmt-85 -127.52 -11.32 5.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.369 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.971 ' HG3' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.22 -19.76 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.514 ' CG ' ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -63.11 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' H ' ' CG ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -79.01 -16.92 56.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.658 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -75.78 -37.83 38.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.971 HD13 ' HG3' ' A' ' 44' ' ' MET . 5.1 tp -68.14 -52.43 34.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.473 ' C ' HG22 ' A' ' 52' ' ' ILE . 2.5 m-20 -59.26 -39.96 84.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -74.63 -72.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.719 ' HB3' ' CE3' ' A' ' 13' ' ' TRP . 22.8 m-30 -41.11 -51.33 3.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.841 HG22 ' O ' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -52.94 -43.87 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . 43.2 tt0 -89.32 8.47 30.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.043 HD23 ' CE1' ' A' ' 9' ' ' HIS . 2.6 mp -117.83 -17.59 9.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.647 ' CE1' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -111.25 -64.66 1.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.627 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 3.6 m-20 156.92 -5.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.394 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.627 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.2 mt-10 96.59 80.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.5 m 156.81 -22.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.663 ' OE1' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 86.05 -7.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.59 HG22 HD23 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -158.07 16.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.501 ' CB ' ' HB3' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -40.9 -35.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 137.17 1.48 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 83.21 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.774 HD22 ' HB2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -95.46 -19.67 19.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 65' ' ' ILE . 0.9 OUTLIER 72.42 21.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' HG3' HD23 ' A' ' 64' ' ' LEU . 9.5 pt20 169.38 55.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.774 ' HB2' HD22 ' A' ' 64' ' ' LEU . 1.4 tp -169.35 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.199 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 24.7 t0 -66.95 -48.32 68.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.0 p30 -83.64 -20.52 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.467 ' O ' HD13 ' A' ' 74' ' ' LEU . 1.5 t0 -68.37 -33.51 74.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.472 ' HB ' ' CD1' ' A' ' 60' ' ' ILE . 1.2 m -102.21 -47.88 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -54.68 -41.04 69.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 10.1 tt0 -74.6 -17.18 60.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 70' ' ' ASP . 1.4 tp -71.97 -53.51 12.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.911 ' HB3' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.29 -21.35 49.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.81 -59.29 2.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 6.8 pt20 -56.99 -38.11 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.71 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -72.42 -61.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.575 ' HG3' HD13 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -51.98 -13.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 78' ' ' ALA . 11.3 t0 -103.93 -27.07 12.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 6.0 ptp -73.25 -17.42 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.588 1.18 . . . . 0.0 111.024 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER 173.49 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.814 ' O ' HD23 ' A' ' 91' ' ' LEU . . . 135.21 45.08 0.1 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.71 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 2.9 tt0 77.09 -20.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.303 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 83' ' ' GLY . 5.7 tm-20 177.12 29.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 0.6 OUTLIER 70.86 41.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.446 HD23 ' HG2' ' A' ' 36' ' ' GLN . 57.8 tp -122.62 6.04 9.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 23.9 p-10 -51.45 -34.5 35.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -38.64 -41.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -121.42 -25.98 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.966 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.1 tp -67.38 -45.98 74.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 3.6 p30 -40.22 -33.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.219 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.471 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 53.4 m -84.02 -36.64 22.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.445 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.4 mm -71.64 -37.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.966 HG22 ' O ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -71.81 -44.89 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.615 ' O ' ' CB ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -65.02 -25.74 67.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.338 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -78.08 -45.13 24.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 48' ' ' LEU . 1.1 mp -75.25 -12.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.824 HD22 HG13 ' A' ' 95' ' ' ILE . 4.8 mp -105.03 -21.13 13.33 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.1 t -96.18 -10.08 28.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.878 HG22 HG22 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -60.32 -10.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 1.3 t 86.48 45.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.878 HG22 HG22 ' A' ' 101' ' ' ILE . 8.9 m -136.25 -51.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 3.5 t -43.9 -49.64 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.937 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 104' ' ' SER . 0.5 OUTLIER 155.53 40.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 1.067 . . . . 0.0 110.328 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -70.6 -50.66 34.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.4 49.34 3.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.494 ' OE2' ' CB ' ' A' ' 109' ' ' LYS . 1.5 pp20? -163.51 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 0.722 . . . . 0.0 110.36 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER 178.11 121.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 109' ' ' LYS . 0.7 OUTLIER 88.67 102.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.29 -174.23 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 58.1 t -131.44 71.54 81.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.67 6.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.438 1.757 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.746 ' SG ' HD11 ' A' ' 15' ' ' ILE . 19.0 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 t -121.15 -0.1 10.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.96 -39.32 94.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -66.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.54 -81.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -100.45 -93.66 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.41 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -175.55 33.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 11' ' ' ARG . 5.4 m-70 42.72 45.75 4.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 109.524 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.604 ' HB2' ' CE2' ' A' ' 51' ' ' PHE . 0.4 OUTLIER 78.21 37.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 2.9 ptpp? 50.47 32.97 7.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.362 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.838 ' HB3' HG22 ' A' ' 60' ' ' ILE . 6.0 m0 -72.54 -46.28 55.24 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' ' HB ' ' A' ' 60' ' ' ILE . 29.2 t70 -78.1 -26.78 48.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.746 HD11 ' SG ' ' A' ' 3' ' ' CYS . 25.9 mm -75.81 -36.19 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 39' ' ' THR . 1.9 tm? -80.67 -36.23 32.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.672 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -74.15 -24.78 59.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -94.1 -22.28 18.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HD2' HG22 ' A' ' 15' ' ' ILE . 11.9 mttt -76.78 -40.16 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.915 ' O ' HG22 ' A' ' 21' ' ' THR . 11.3 p -33.55 -59.86 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.936 HG23 ' H ' ' A' ' 23' ' ' VAL . 1.2 t 86.43 -39.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.87 -2.05 1.07 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.569 1.168 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.936 ' H ' HG23 ' A' ' 21' ' ' THR . 43.7 t -61.77 -24.71 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.653 ' CG ' ' O ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER 82.96 21.22 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.54 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.488 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -55.39 -16.32 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.509 ' N ' HG21 ' A' ' 21' ' ' THR . 0.0 OUTLIER 171.78 34.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 111.014 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.804 ' HG2' HG22 ' A' ' 21' ' ' THR . 10.3 mmmt -131.73 -0.08 3.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 29' ' ' VAL . 11.1 p -83.14 48.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.824 HG22 ' O ' ' A' ' 30' ' ' THR . 1.1 m -109.41 54.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER 72.05 10.54 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 3.7 mt-10 62.86 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.275 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.741 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -46.82 -37.51 8.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' CG ' ' OG ' ' A' ' 38' ' ' SER . 0.9 OUTLIER -88.66 -19.56 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -57.25 -28.4 62.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.909 ' HG3' HD11 ' A' ' 91' ' ' LEU . 1.4 mm-40 -117.09 -22.39 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.83 ' CD2' HG23 ' A' ' 94' ' ' ILE . 49.2 mt -85.41 -60.22 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.775 ' HA ' HG22 ' A' ' 41' ' ' ILE . 65.3 m -64.14 -19.33 65.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.597 HG21 ' O ' ' A' ' 35' ' ' GLU . 61.1 p -93.26 -26.14 17.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -107.72 3.1 24.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.775 HG22 ' HA ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -119.1 -36.25 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.562 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -27.7 -64.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -130.36 -12.51 3.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.705 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 4.2 mtt -72.56 -23.01 60.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.459 ' HB2' ' CD1' ' A' ' 41' ' ' ILE . 2.2 t-20 -40.86 -83.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.571 1.17 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -85.29 -19.39 31.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 51' ' ' PHE . . . -69.9 -34.27 71.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.59 1.181 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.976 HD21 ' O ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -82.41 -58.21 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' O ' HG22 ' A' ' 52' ' ' ILE . 59.4 t0 -44.24 -36.83 2.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.81 -65.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 3.2 m-85 -50.05 -33.99 20.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.738 HD12 ' HG ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.31 -49.24 83.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.183 . . . . 0.0 109.336 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 9.1 tt0 -75.01 -2.47 27.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 tp -107.08 -27.55 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.632 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 6.3 m-85 -123.94 -73.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.606 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER 175.4 -56.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.655 ' HB2' ' CG1' ' A' ' 52' ' ' ILE . 3.9 tm-20 152.19 -12.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.841 ' O ' HD12 ' A' ' 67' ' ' LEU . 6.6 m -128.94 44.81 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.632 ' OE2' ' CE2' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -102.51 26.12 8.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.844 HD13 ' H ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -65.3 -42.93 95.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.844 ' H ' HD13 ' A' ' 60' ' ' ILE . 12.1 t0 -116.02 -55.15 2.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 45.0 78.02 0.42 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 18.3 Cg_endo -74.96 0.29 9.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.777 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 3.4 tp 85.82 2.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.38 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -96.12 -22.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.426 1.079 . . . . 0.0 109.243 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.823 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -175.34 -71.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.841 HD12 ' O ' ' A' ' 58' ' ' SER . 0.3 OUTLIER 89.67 -34.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.651 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.4 t70 -69.94 -45.39 67.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -82.64 -10.01 59.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.47 -34.58 63.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.805 ' OG1' HD12 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -110.56 -20.91 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.371 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.651 ' CB ' ' O ' ' A' ' 68' ' ' ASP . . . -80.14 -32.99 38.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 29.7 tt0 -60.58 -30.04 69.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.487 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.29 -60.63 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.513 ' CG ' ' HA ' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -50.89 -31.96 19.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 14.0 mtpt -80.75 -51.77 8.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 81' ' ' MET . 27.9 tp60 -54.55 -25.43 25.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.913 ' HB1' ' HA ' ' A' ' 84' ' ' GLN . . . -87.47 -71.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.584 ' HA ' ' HA2' ' A' ' 83' ' ' GLY . 0.3 OUTLIER -48.12 -18.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 41.1 t0 -96.85 -38.59 9.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.546 ' CB ' ' O ' ' A' ' 77' ' ' GLN . 5.3 ttp -60.01 -19.26 51.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.602 ' CD2' ' HD2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER 170.83 -21.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.956 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.584 ' HA2' ' HA ' ' A' ' 79' ' ' ARG . . . 129.99 28.38 0.73 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.913 ' HA ' ' HB1' ' A' ' 78' ' ' ALA . 26.5 tp60 74.75 -16.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 83' ' ' GLY . 0.2 OUTLIER 178.75 26.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.602 ' HD2' ' CD2' ' A' ' 82' ' ' TYR . 0.1 OUTLIER 63.45 34.37 12.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.528 ' C ' ' HB2' ' A' ' 91' ' ' LEU . 13.1 mt -122.84 1.76 9.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 87' ' ' LEU . 1.1 t30 -38.09 -38.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -43.01 -40.68 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -123.38 -2.83 8.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.909 HD11 ' HG3' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -84.69 -26.88 27.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -56.25 -45.05 80.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 t -88.82 -37.71 15.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.83 HG23 ' CD2' ' A' ' 37' ' ' LEU . 61.2 mt -64.26 -28.94 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.796 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -82.27 -47.45 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.222 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -60.72 -19.0 57.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.503 ' O ' ' CA ' ' A' ' 101' ' ' ILE . 2.3 mp0 -103.38 -49.39 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.626 ' HB ' ' O ' ' A' ' 94' ' ' ILE . 1.6 tp -79.97 -0.27 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.976 ' O ' HD21 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -121.61 -39.92 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.478 ' HB2' ' CB ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -112.7 -30.92 6.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER 60.55 16.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER 79.79 6.71 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 110.08 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.7 t -100.8 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 100' ' ' SER . 0.4 OUTLIER -112.28 -22.31 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -40.69 -31.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.391 1.057 . . . . 0.0 110.36 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.546 ' HB3' ' CB ' ' A' ' 109' ' ' LYS . 17.5 mm-40 66.79 5.29 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.75 -58.29 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 106' ' ' GLU . 2.0 tp10 -156.75 19.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.546 ' CB ' ' HB3' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -102.34 23.3 11.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -119.48 44.28 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.33 134.59 25.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 112' ' ' VAL . 45.8 t -143.16 83.41 11.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 165.32 31.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.8 m -75.09 -78.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -78.28 -91.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 7' ' ' GLU . 43.3 p90 -121.52 -48.04 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.573 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.5 OUTLIER 49.89 -171.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.76 -77.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -131.4 27.19 4.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.563 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.586 ' CE1' ' HB ' ' A' ' 60' ' ' ILE . 15.9 m-70 -70.86 -31.29 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.588 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.649 ' HA ' HD12 ' A' ' 15' ' ' ILE . 2.0 ptm180 -85.06 48.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.556 ' CA ' HG22 ' A' ' 15' ' ' ILE . 2.2 ptmm? 179.03 -65.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.917 ' CE2' ' CZ ' ' A' ' 51' ' ' PHE . 7.0 t90 -70.69 -55.84 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.783 ' HB2' HG21 ' A' ' 60' ' ' ILE . 26.8 t0 -74.47 -28.47 61.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 11' ' ' ARG . 1.6 tt -67.91 -34.85 69.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.07 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.651 ' O ' HD13 ' A' ' 16' ' ' LEU . 1.9 tm? -80.54 -33.91 35.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD23 ' CG2' ' A' ' 71' ' ' THR . 6.9 tp -86.46 -3.4 59.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 6.3 tm-20 -116.4 -17.21 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.579 ' O ' HG21 ' A' ' 23' ' ' VAL . 2.1 mtpp -114.75 -9.44 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -122.26 -69.04 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.622 ' CB ' HD12 ' A' ' 17' ' ' LEU . 44.7 m -76.87 51.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.446 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.46 21.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.579 HG21 ' O ' ' A' ' 19' ' ' LYS . 61.3 t -125.42 -43.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.542 ' O ' ' HE3' ' A' ' 24' ' ' MET . 1.1 ttp 71.69 5.58 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.544 ' HB2' HG12 ' A' ' 23' ' ' VAL . 2.2 mt-10 -113.49 -64.82 1.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' O ' HG21 ' A' ' 30' ' ' THR . . . -78.78 1.11 24.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.577 ' CE ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -119.42 -22.1 7.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.577 ' CB ' ' CE ' ' A' ' 27' ' ' MET . 1.3 tptt -121.98 -41.1 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' GLU . 84.0 t -92.44 63.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.636 ' O ' ' CB ' ' A' ' 31' ' ' SER . 1.4 p -128.65 -32.36 2.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 30' ' ' THR . 4.7 p 146.7 11.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER 66.0 -71.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' SER . 12.6 pt-20 -48.86 -38.14 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 -21.56 19.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -66.7 -14.27 62.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.874 ' NE2' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -120.53 -37.4 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.91 -60.83 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.246 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.9 m -70.76 -14.88 62.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 1.9 m -93.12 -23.58 18.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.376 1.047 . . . . 0.0 110.387 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . -109.88 1.76 19.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.61 ' O ' ' C ' ' A' ' 42' ' ' ASP . 25.0 mt -121.97 -41.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -21.83 -74.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.676 ' O ' ' HA3' ' A' ' 47' ' ' GLY . 0.9 OUTLIER -131.47 -9.19 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.696 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 3.6 mtt -72.24 -21.28 61.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.498 ' CG ' HG23 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -57.94 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.669 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.5 mm-40 -85.69 -26.45 25.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.676 ' HA3' ' O ' ' A' ' 43' ' ' ARG . . . -65.58 -43.4 94.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.736 HD23 HG11 ' A' ' 103' ' ' VAL . 1.1 tp -70.73 -45.19 65.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -72.49 -20.85 61.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . -81.46 -77.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.917 ' CZ ' ' CE2' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -40.18 -42.73 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.795 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -68.15 -46.77 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.54 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 13.0 tt0 -73.42 -2.87 24.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -119.35 -15.78 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.671 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -126.16 -68.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.62 43.04 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.671 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 1.3 tp10 -88.27 -24.16 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.233 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 2.3 m 91.08 -14.69 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -151.18 -72.54 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER 172.92 -65.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.527 ' HB2' ' CB ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -54.77 -71.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.57 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 3.2 pt-20 173.26 159.21 0.28 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 42.91 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.426 1.751 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.692 ' O ' HG22 ' A' ' 65' ' ' ILE . 45.9 tp -87.21 -17.75 31.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER 88.34 20.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.731 HE21 HD23 ' A' ' 67' ' ' LEU . 7.3 pt20 -107.2 -31.35 8.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.731 HD23 HE21 ' A' ' 66' ' ' GLN . 1.0 OUTLIER -127.38 -27.45 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.219 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.582 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -66.1 -34.2 77.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -87.79 -21.34 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -69.18 -40.24 78.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.817 ' CG2' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -88.07 -38.69 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.19 -31.38 70.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -69.27 -24.0 63.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 71' ' ' THR . 20.0 mt -71.33 -57.28 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.735 ' O ' HD11 ' A' ' 87' ' ' LEU . 4.3 ptm -66.46 -37.69 85.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -68.95 -52.08 32.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.565 ' CB ' ' O ' ' A' ' 73' ' ' GLU . 32.4 tt0 -54.44 -26.62 31.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -70.53 -77.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.642 ' HB2' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -59.55 -7.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 3.8 t0 -80.05 -53.21 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.1 mmt -76.51 -29.78 56.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 178.14 -30.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.19 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.634 ' C ' ' HB2' ' A' ' 88' ' ' ASN . . . 92.0 -4.18 77.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 8.7 pt20 -37.48 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.243 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 83' ' ' GLY . 0.4 OUTLIER -49.5 -80.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.298 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.945 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.9 OUTLIER -147.83 -0.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.377 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -133.63 61.74 1.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.769 HD22 ' N ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -110.78 -113.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.769 ' N ' HD22 ' A' ' 88' ' ' ASN . 1.5 tt0 -74.33 -77.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.23 -20.78 33.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.874 HD22 ' NE2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -74.59 -35.76 62.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' A' ' 88' ' ' ASN . 3.0 t30 -55.17 -38.26 68.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.411 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . 50.7 m -72.11 -41.93 66.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.668 HG21 ' C ' ' A' ' 36' ' ' GLN . 42.6 mm -66.3 -37.36 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.945 HD11 ' HE3' ' A' ' 86' ' ' LYS . 8.5 mm -82.1 -29.72 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 100' ' ' SER . 2.1 ttpp -62.04 -34.03 75.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.626 1.204 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' O ' ' HB ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -83.38 -45.76 13.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.879 HG22 ' HA ' ' A' ' 95' ' ' ILE . 3.5 tp -70.98 -14.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -102.83 -29.86 11.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.1 t -87.11 -10.36 53.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.8 HG23 ' CG1' ' A' ' 103' ' ' VAL . 6.1 tp -65.67 -6.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 101' ' ' ILE . 3.4 m 97.18 51.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 110.023 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.8 ' CG1' HG23 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -125.15 -39.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.489 ' CB ' ' CD1' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -123.6 -37.73 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.053 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 99' ' ' LEU . 0.6 OUTLIER -69.57 -16.51 63.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -125.98 13.98 7.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.72 -9.45 32.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 2.0 tt0 -171.99 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.235 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 0.0 OUTLIER 176.21 -82.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.23 46.97 1.04 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 111' ' ' LEU . 0.9 OUTLIER 44.02 -158.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.485 HG23 ' HD2' ' A' ' 113' ' ' PRO . 8.9 p -94.27 140.65 22.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.485 ' HD2' HG23 ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.01 100.69 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.551 1.816 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 stop_ save_