data_1zl8_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 1zl8 _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 ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.309 -0.256 . . . . 99.989999999999995 110.309 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 12' ' ' ILE . 1.2 m-20 -71.8 -20.59 61.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.248 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.593 HG21 ' CZ ' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -55.63 -30.09 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.302 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.15 -40.09 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.274 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -68.68 -19.07 64.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.262 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.486 HG23 ' CD2' ' A' ' 13' ' ' LEU . 8.6 tt -69.36 -35.3 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.199 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.513 ' CD1' ' HG2' ' A' ' 34' ' ' GLN . 2.9 mm? -62.01 -19.82 63.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.315 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.514 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 5.8 tt0 -80.25 -49.07 12.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 110.33 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.15 -43.32 99.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.284 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.569 ' CE ' HD22 ' A' ' 33' ' ' LEU . 8.6 mtp -57.44 -46.49 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 111.033 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 1.1 tp10 -69.54 -16.8 63.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 110.229 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.514 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -84.85 -43.88 13.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.622 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.477 ' O ' ' CE1' ' B' ' 122' ' ' TYR . 3.4 m -72.1 -30.52 36.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.357 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.558 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -70.45 -1.69 11.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 110.229 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 17' ' ' GLU . 2.7 mmmt -82.44 8.41 11.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.245 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.612 HG21 ' CE1' ' B' ' 122' ' ' TYR . 9.2 t -91.58 -23.02 20.03 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.379 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.77 -45.51 3.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.083 . . . . 99.989999999999995 111.049 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -78.86 63.07 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 99.989999999999995 110.387 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.722 ' O ' ' C ' ' A' ' 26' ' ' ASN . 12.2 p -170.14 43.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.722 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -0.16 108.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.329 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -60.49 -13.81 15.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.366 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.33 -52.55 61.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -72.77 -44.7 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.274 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 30' ' ' LEU . 1.1 tm? -54.31 -47.94 71.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.325 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.24 -41.35 94.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.305 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -54.14 -34.08 59.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.932 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.569 HD22 ' CE ' ' A' ' 16' ' ' MET . 0.7 OUTLIER -68.31 -30.55 69.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.314 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HG2' ' CE ' ' A' ' 16' ' ' MET . 46.2 mt-30 -69.88 -37.84 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 99.989999999999995 110.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -60.8 -32.59 71.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 99.989999999999995 110.307 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.505 HG12 ' CB ' ' B' ' 112' ' ' ALA . 7.5 p -88.41 -38.32 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -68.49 -39.12 81.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.275 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -91.61 6.21 46.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.63 ' OG ' ' CE1' ' A' ' 41' ' ' PHE . 84.6 p -61.6 141.98 57.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 109.997 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.42 -33.0 58.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.336 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.637 ' CD2' ' C ' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -53.98 -31.14 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.075 . . . . 99.989999999999995 110.987 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.826 ' CZ ' ' CE1' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -57.66 -45.6 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.989 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.12 -36.73 30.66 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 110.968 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.12 93.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 99.989999999999995 109.296 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 t -77.35 -41.83 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.334 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 1.7 tmt_? -56.55 -29.35 61.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.312 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.46 -41.43 93.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.584 1.178 . . . . 99.989999999999995 110.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.01 -44.38 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 99.989999999999995 109.262 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -46.58 62.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.342 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' B' ' 144' ' ' LEU . 10.8 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.28 -0.637 . . . . 99.989999999999995 109.28 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' B' ' 114' ' ' GLU . 4.1 tt0 -56.94 -33.11 66.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.326 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.546 ' C ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -57.49 -25.57 59.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.352 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.505 ' CB ' HG12 ' A' ' 36' ' ' VAL . . . -62.86 -61.31 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 109.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . 0.534 ' HD2' ' N ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -76.82 -20.14 56.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.335 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' B' ' 113' ' ' LYS . 60.8 tt0 -45.97 -36.5 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.333 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.52 ' CG2' ' HG3' ' A' ' 29' ' ' LYS . 2.5 p -59.18 -33.2 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.247 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.553 HD21 ' CB ' ' B' ' 132' ' ' LYS . 0.1 OUTLIER -66.15 -30.8 71.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.248 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' B' ' 118' ' ' GLU . 0.0 OUTLIER -59.33 -35.6 74.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.33 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 4.5 tp10 -82.16 -29.59 31.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.278 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.446 HD11 ' CG2' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -69.46 -12.69 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.332 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -59.1 -26.85 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.043 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 4.0 t -93.35 -38.01 11.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 108.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.612 ' CE1' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -81.82 117.4 68.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 99.989999999999995 111.009 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 96.15 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.472 1.775 . . . . 99.989999999999995 110.992 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.598 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 3.2 pt-20 -110.63 -179.58 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 61.4 t-20 -61.72 115.48 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.325 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . 0.496 ' HA ' ' CE ' ' B' ' 129' ' ' LYS . 16.1 p-10 -51.51 -26.24 8.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.255 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.71 -48.65 18.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.28 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.407 ' CB ' ' HB3' ' B' ' 125' ' ' ASN . . . -59.31 -54.53 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.264 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.496 ' CE ' ' HA ' ' B' ' 126' ' ' ASN . 1.1 ptpt -58.72 -29.48 66.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.328 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -72.77 -26.45 61.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 110.365 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' B' ' 134' ' ' ILE . 0.0 OUTLIER -63.35 -41.92 98.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.217 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.553 ' CB ' HD21 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -69.58 -33.3 72.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.258 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.89 -49.65 28.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 110.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' B' ' 131' ' ' LEU . 2.4 pp -63.64 -18.92 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.242 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' B' ' 140' ' ' PHE . 0.2 OUTLIER -68.51 -8.5 41.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.317 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' THR . . . . . 0.468 ' O ' ' OG1' ' B' ' 136' ' ' THR . 4.4 p -108.02 84.77 2.0 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.622 1.201 . . . . 99.989999999999995 110.397 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . 0.529 ' HB3' ' HD2' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -115.13 179.39 0.79 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.365 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.4 Cg_endo -74.99 -0.2 9.67 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.484 1.781 . . . . 99.989999999999995 110.997 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' HIS . . . . . 0.411 ' ND1' ' HB2' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.88 -55.83 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.634 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' PHE . . . . . 0.826 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -78.24 -72.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 110.963 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 3.5 tpt -48.18 -27.2 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 111.032 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.02 -34.2 61.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.333 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' B' ' 143' ' ' LEU . 0.2 OUTLIER -73.68 -35.1 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.243 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . 0.583 ' CD2' ' CE1' ' A' ' 42' ' ' PHE . 21.6 mt -61.27 -40.2 93.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -76.82 -13.66 59.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 99.989999999999995 110.26 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -95.94 -13.94 23.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.372 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' HIS . . . . . 0.551 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.613 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.246 -0.279 . . . . 99.989999999999995 110.246 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 9' ' ' VAL . 16.1 p30 -71.91 -19.2 61.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.213 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.531 ' CG2' ' CD1' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -44.88 -30.36 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 109.264 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -44.82 7.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.361 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -19.84 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.415 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' ASP . 3.5 tt -65.32 -32.23 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' CD1' ' HE1' ' A' ' 16' ' ' MET . 1.1 mm? -66.89 -21.15 66.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.58 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 3.9 tt0 -80.39 -47.72 14.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 110.235 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' CD1' HD22 ' B' ' 131' ' ' LEU . 1.4 mt -61.63 -34.52 75.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.317 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.488 ' CE ' ' CD1' ' A' ' 33' ' ' LEU . 6.5 mtm -66.97 -46.22 75.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.99 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 26.9 tt0 -65.42 -14.9 61.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.233 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.58 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -85.22 -39.72 17.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.514 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.606 ' O ' ' CE1' ' B' ' 122' ' ' TYR . 5.0 m -71.38 -32.9 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 109.27 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.559 ' N ' HG21 ' A' ' 19' ' ' VAL . 2.9 pt20 -71.99 -3.2 21.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 99.989999999999995 110.308 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' HIS . 17.5 mmmt -69.32 -10.59 58.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.225 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.592 HG22 ' CD1' ' B' ' 122' ' ' TYR . 2.5 t -81.27 -22.38 38.69 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.71 -42.74 2.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.42 1.075 . . . . 99.989999999999995 110.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.531 ' C ' ' CG1' ' A' ' 25' ' ' VAL . 1.3 tp10 -76.76 59.13 1.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 0.761 . . . . 99.989999999999995 110.38 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.883 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 1.6 m -161.92 44.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.3 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.717 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -0.14 109.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 109.259 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 16.8 p30 -60.93 -17.62 52.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.233 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -52.79 64.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.373 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 1.0 OUTLIER -74.34 -29.91 61.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 109.323 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 20' ' ' GLN . 2.1 tm? -66.8 -48.83 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.84 -29.81 69.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 109.302 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.506 ' OG ' ' NH1' ' B' ' 111' ' ' ARG . 1.2 m -53.99 -22.94 11.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.945 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.55 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 2.6 tm? -83.65 -41.97 17.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.07 . . . . 99.989999999999995 109.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.627 ' O ' ' N ' ' A' ' 38' ' ' GLN . 64.3 mt-30 -54.15 -49.15 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 32' ' ' SER . 3.1 pt20 -54.89 -51.4 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.39 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.54 ' CG1' ' HA ' ' A' ' 33' ' ' LEU . 4.9 p -66.0 -47.07 86.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 99.989999999999995 109.295 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -65.01 -30.01 70.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.304 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.627 ' N ' ' O ' ' A' ' 34' ' ' GLN . 9.5 mm-40 -94.6 13.81 22.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.272 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.628 ' OG ' ' CE2' ' A' ' 41' ' ' PHE . 59.9 p -83.29 146.94 28.26 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.897 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -75.27 -42.52 54.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.345 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -40.27 -37.73 0.69 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.375 1.047 . . . . 99.989999999999995 111.045 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -55.7 -42.83 75.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.625 1.203 . . . . 99.989999999999995 110.991 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . -85.81 -36.06 10.77 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.921 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.54 82.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 99.989999999999995 109.228 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG21 ' CD2' ' B' ' 147' ' ' HIS . 68.0 t -75.08 -40.7 44.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.25 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 4.7 tmm_? -60.97 -28.44 69.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 99.989999999999995 110.249 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -33.0 74.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.323 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.0 t -68.44 -29.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.295 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -46.45 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.254 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.236 -0.653 . . . . 99.989999999999995 109.236 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.403 ' HG2' ' CD ' ' B' ' 114' ' ' GLU . 8.0 tt0 -58.59 -33.7 70.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.389 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -52.46 -20.31 2.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.364 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.496 ' CB ' HD21 ' A' ' 33' ' ' LEU . . . -59.17 -60.22 4.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.319 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . 0.481 ' O ' ' CD2' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -81.98 -31.01 31.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.362 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 1.6 tt0 -42.8 -27.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 99.989999999999995 110.382 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' B' ' 112' ' ' ALA . 7.3 p -57.27 -34.8 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.289 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' B' ' 113' ' ' LYS . 1.5 mm? -60.65 -20.98 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.385 1.053 . . . . 99.989999999999995 109.239 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -57.75 -38.36 75.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 110.29 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.43 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 18.3 tp10 -83.18 -34.45 25.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' B' ' 122' ' ' TYR . 1.2 mt -66.78 -14.9 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 109.318 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -24.42 65.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 109.951 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 t -95.23 -30.41 14.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 108.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.606 ' CE1' ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -92.04 118.33 68.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.987 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.05 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 99.989999999999995 110.901 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.594 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 3.9 pt-20 -110.33 -178.95 3.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 110.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 60.8 t-20 -69.35 125.15 25.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.383 1.052 . . . . 99.989999999999995 109.328 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 2.5 m-20 -59.64 -23.74 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.301 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.12 -49.8 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 1.181 . . . . 99.989999999999995 109.29 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.417 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.51 -51.32 70.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.296 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -64.44 -28.98 70.04 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.237 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 12.9 tt0 -66.16 -35.45 80.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.392 1.058 . . . . 99.989999999999995 110.196 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.477 HD13 ' CD1' ' B' ' 134' ' ' ILE . 0.0 OUTLIER -60.84 -42.17 97.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 109.277 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.472 ' HD3' ' CD2' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -70.54 -33.33 71.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.309 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -49.3 26.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 110.325 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . 0.477 ' CD1' HD13 ' B' ' 131' ' ' LEU . 2.6 pp -61.67 -18.87 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.365 1.041 . . . . 99.989999999999995 109.333 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.427 ' CD2' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -69.14 -8.19 43.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.253 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' THR . . . . . 0.461 ' O ' ' OG1' ' B' ' 136' ' ' THR . 4.3 p -108.94 84.14 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 110.437 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . 0.604 ' O ' ' HB3' ' B' ' 141' ' ' MET . 0.0 OUTLIER -110.62 175.14 2.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.396 1.06 . . . . 99.989999999999995 110.342 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.6 Cg_endo -74.8 -2.3 12.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.457 1.767 . . . . 99.989999999999995 111.035 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' B' ' 140' ' ' PHE . 0.0 OUTLIER -102.49 -53.26 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.623 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -77.47 -70.81 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.37 1.044 . . . . 99.989999999999995 110.945 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' MET . . . . . 0.604 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -48.3 -35.2 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.912 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -62.79 -36.1 82.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.358 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' B' ' 143' ' ' LEU . 0.2 OUTLIER -70.4 -35.45 73.46 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.355 1.034 . . . . 99.989999999999995 109.34 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . 0.565 HD22 ' CE1' ' A' ' 42' ' ' PHE . 25.4 mt -59.23 -37.54 77.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.61 -10.63 57.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 110.321 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 84.9 m -95.77 -16.33 21.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.456 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' HIS . . . . . 0.518 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.576 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.334 -0.247 . . . . 99.989999999999995 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -59.71 -32.03 70.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.271 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.664 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 11.5 m -43.03 -29.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.609 1.193 . . . . 99.989999999999995 109.359 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.419 ' N ' ' C ' ' A' ' 8' ' ' ASP . 4.2 mt-30 -86.38 -40.19 15.66 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.332 1.02 . . . . 99.989999999999995 110.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -73.28 -20.15 60.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.296 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.494 HG21 ' CD1' ' A' ' 37' ' ' LEU . 8.6 tt -65.98 -34.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.258 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.664 ' CD2' ' O ' ' A' ' 9' ' ' VAL . 1.3 mm? -70.41 -21.37 62.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.283 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.471 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 9.3 tt0 -75.07 -42.66 56.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 110.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.499 ' O ' ' CG1' ' A' ' 19' ' ' VAL . 1.1 mt -72.88 -48.47 37.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 109.309 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.501 ' CE ' HD12 ' A' ' 13' ' ' LEU . 15.7 mtp -53.5 -47.09 70.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.973 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 9.6 pt-20 -70.61 -16.17 62.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.346 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.471 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 1.8 m80 -86.86 -35.51 18.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.564 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.56 ' O ' ' CZ ' ' B' ' 122' ' ' TYR . 1.0 OUTLIER -71.44 -36.43 60.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.1 . . . . 99.989999999999995 109.402 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.481 ' N ' HG22 ' A' ' 19' ' ' VAL . 1.3 pp0? -71.05 -3.71 21.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.656 1.223 . . . . 99.989999999999995 110.325 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.49 ' HA ' ' CE ' ' A' ' 21' ' ' LYS . 3.1 mmpt? -60.87 -13.57 16.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 99.989999999999995 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.717 ' CG2' ' CD1' ' B' ' 122' ' ' TYR . 10.7 t -79.77 -20.68 45.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.4 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.95 -40.63 2.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 111.012 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' C ' ' CG2' ' A' ' 25' ' ' VAL . 13.9 mm-40 -80.99 61.03 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.382 0.696 . . . . 99.989999999999995 110.327 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.716 ' O ' ' C ' ' A' ' 26' ' ' ASN . 22.0 t -153.91 51.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.716 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.7 m-80 -3.74 102.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 99.989999999999995 109.33 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -62.25 -22.77 66.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 109.335 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.48 73.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.383 1.052 . . . . 99.989999999999995 109.343 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HE3' ' CB ' ' B' ' 118' ' ' GLU . 5.9 pttm -72.16 -43.82 64.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.167 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 16' ' ' MET . 0.7 OUTLIER -54.85 -36.39 65.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.381 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' HA ' ' CD ' ' A' ' 34' ' ' GLN . . . -73.76 -34.5 64.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.442 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 29.7 m -53.5 -27.27 24.62 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.624 1.202 . . . . 99.989999999999995 109.959 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.566 ' CD2' ' CB ' ' B' ' 112' ' ' ALA . 2.0 tm? -75.95 -41.95 49.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.219 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.576 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 11.6 mt-30 -61.26 -37.24 82.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.355 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 32' ' ' SER . 22.6 mt-30 -60.3 -33.26 72.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.304 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.588 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 3.5 p -90.29 -46.22 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 109.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.538 ' CG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -58.78 -26.34 63.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 109.235 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 4.2 mt-30 -107.07 13.55 27.33 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.626 1.203 . . . . 99.989999999999995 110.335 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -84.66 149.84 25.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 109.931 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -74.9 -32.16 61.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 110.337 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -49.48 -21.21 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.629 1.206 . . . . 99.989999999999995 111.076 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.817 ' CE1' ' CD2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -82.41 -41.75 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 111.027 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.01 -34.78 13.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 111.032 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.18 94.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 99.989999999999995 109.333 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG1' HD12 ' B' ' 143' ' ' LEU . 38.4 t -78.17 -43.83 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.298 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 4.3 tmm_? -57.92 -28.14 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.201 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.66 -38.78 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.341 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.49 -29.97 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.342 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.14 -46.59 70.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 110.307 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.491 ' CG2' HD13 ' B' ' 144' ' ' LEU . 2.5 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.324 -0.621 . . . . 99.989999999999995 109.324 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.456 ' O ' ' HD3' ' B' ' 113' ' ' LYS . 56.9 mt-30 -56.33 -25.62 49.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.226 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.514 ' HD3' ' N ' ' B' ' 112' ' ' ALA . 0.0 OUTLIER -51.65 -18.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.34 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.604 ' O ' ' NZ ' ' B' ' 132' ' ' LYS . . . -66.56 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 99.989999999999995 109.24 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -77.92 -24.33 48.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 109.375 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 11.6 tt0 -46.79 -28.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 110.255 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.427 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 6.0 m -58.61 -34.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.241 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.452 HD22 ' NZ ' ' B' ' 132' ' ' LYS . 0.8 OUTLIER -60.86 -22.13 63.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.348 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.2 OUTLIER -61.12 -38.06 85.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.379 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.451 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -82.43 -36.48 26.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.298 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.516 ' O ' ' O ' ' B' ' 122' ' ' TYR . 1.0 OUTLIER -63.2 -13.34 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.65 1.219 . . . . 99.989999999999995 109.379 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 4.3 m -60.52 -28.36 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.089 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.34 -37.9 14.55 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 108.229 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.717 ' CD1' ' CG2' ' A' ' 22' ' ' THR . 0.4 OUTLIER -83.71 130.45 55.59 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 110.947 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 94.34 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 99.989999999999995 111.056 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.683 ' HB3' ' CE2' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -99.34 -175.97 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.321 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.454 ' N ' ' HG2' ' B' ' 124' ' ' GLU . 64.6 t-20 -97.1 118.97 34.7 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.206 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' B' ' 130' ' ' GLU . 32.2 m120 -49.96 -26.83 4.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.232 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -75.22 -50.74 15.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 99.989999999999995 109.289 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.449 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . . . -61.2 -45.58 93.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 99.989999999999995 109.302 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.416 ' HB3' ' CG ' ' B' ' 124' ' ' GLU . 3.8 ptmt -71.46 -25.63 62.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.299 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' B' ' 126' ' ' ASN . 2.6 mt-10 -61.14 -36.91 81.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 110.195 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.492 ' O ' HG13 ' B' ' 134' ' ' ILE . 0.1 OUTLIER -60.06 -44.04 95.0 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.237 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.604 ' NZ ' ' O ' ' B' ' 112' ' ' ALA . 0.0 OUTLIER -75.0 -40.25 60.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 109.332 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -65.39 -40.02 92.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.276 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 131' ' ' LEU . 2.3 pp -75.38 -16.28 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.395 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.502 ' CD1' ' CD2' ' B' ' 140' ' ' PHE . 0.2 OUTLIER -67.69 -14.44 62.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.198 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' THR . . . . . 0.489 ' O ' ' OG1' ' B' ' 136' ' ' THR . 2.9 p -103.51 83.42 2.16 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.376 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . 0.557 ' O ' ' HB3' ' B' ' 141' ' ' MET . 0.0 OUTLIER -113.39 176.18 1.58 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 110.296 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.0 Cg_endo -75.02 -1.82 11.73 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.477 1.777 . . . . 99.989999999999995 110.972 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -54.04 2.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 109.627 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' PHE . . . . . 0.817 ' CD2' ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -76.81 -70.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.996 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' MET . . . . . 0.557 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 4.6 tpt -49.79 -26.41 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 111.069 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -76.65 -33.76 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.616 1.198 . . . . 99.989999999999995 109.348 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.477 HD12 ' CG1' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -69.89 -35.38 74.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.343 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . 0.734 ' CD2' ' CE1' ' A' ' 42' ' ' PHE . 11.9 mt -69.0 -37.43 78.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.267 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -72.17 -8.17 53.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.309 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 72.4 m -99.15 -17.44 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 110.494 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.065 . . . . 99.989999999999995 109.582 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 110.337 -0.245 . . . . 99.989999999999995 110.337 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ILE . 1.1 m-20 -64.97 -33.34 75.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.286 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -44.1 -32.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.28 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -38.31 11.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 110.243 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -25.78 64.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.361 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 8' ' ' ASP . 4.7 tt -59.1 -40.28 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.535 ' CD1' ' HE3' ' A' ' 16' ' ' MET . 2.8 mm? -57.48 -22.65 45.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.227 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 17.0 tt0 -88.43 -38.74 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.338 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD2' ' HG ' ' B' ' 131' ' ' LEU . 1.4 mm? -64.24 -53.46 48.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.282 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.571 ' CE ' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -65.02 -34.6 78.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 111.001 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 3.1 tt0 -69.91 -18.18 63.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 4.6 m80 -84.42 -30.24 25.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.609 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.667 ' O ' ' CE1' ' B' ' 122' ' ' TYR . 0.9 OUTLIER -78.34 -37.27 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.238 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER -70.83 -4.69 25.47 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 110.271 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -70.16 -7.15 39.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.357 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.652 ' CB ' ' CE2' ' B' ' 122' ' ' TYR . 1.8 t -83.74 -20.11 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.38 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.47 -45.42 2.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.999 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' C ' ' CG2' ' A' ' 25' ' ' VAL . 4.3 tp10 -80.12 61.38 3.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.414 0.714 . . . . 99.989999999999995 110.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.715 ' O ' ' C ' ' A' ' 26' ' ' ASN . 2.5 t -154.25 46.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.077 . . . . 99.989999999999995 109.293 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.715 ' C ' ' O ' ' A' ' 25' ' ' VAL . 1.8 m-80 -2.69 104.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 109.334 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 8.8 p-10 -61.35 -13.99 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.23 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.74 30.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HG3' ' CG2' ' B' ' 115' ' ' VAL . 0.0 OUTLIER -76.57 -40.95 48.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.142 . . . . 99.989999999999995 109.311 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.549 ' CD2' ' HB2' ' A' ' 16' ' ' MET . 0.5 OUTLIER -57.72 -45.25 86.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.269 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 27' ' ' ASN . . . -72.39 -33.97 67.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB3' ' NE ' ' B' ' 111' ' ' ARG . 28.4 m -53.65 -29.59 39.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 99.989999999999995 109.922 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.585 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 1.6 tm? -65.29 -30.69 71.57 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.162 . . . . 99.989999999999995 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.515 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 22.5 mt-30 -68.25 -46.05 71.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.284 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 32' ' ' SER . 7.8 mt-30 -54.8 -27.73 43.94 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 110.393 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 33' ' ' LEU . 7.5 p -93.72 -47.15 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.256 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.585 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.99 -42.68 99.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.257 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.506 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -88.67 13.19 12.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.259 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.633 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -75.47 150.02 38.34 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.97 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.71 -32.68 62.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.273 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.731 ' CD1' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -49.84 -44.22 49.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.378 1.049 . . . . 99.989999999999995 110.999 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.827 ' CZ ' ' CE1' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -54.62 -46.55 73.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.975 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.92 -35.15 31.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 110.956 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.7 86.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.756 . . . . 99.989999999999995 109.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' B' ' 143' ' ' LEU . 2.6 t -76.88 -42.11 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.259 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 5.9 tpt180 -56.71 -29.48 62.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 110.195 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -41.87 95.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.266 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.72 -50.32 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -51.62 -46.74 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 111.033 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.234 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.506 ' CG1' HD12 ' B' ' 144' ' ' LEU . 97.9 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.23 -0.656 . . . . 99.989999999999995 109.23 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -57.19 -32.95 66.99 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.234 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.527 ' C ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -51.75 -20.62 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.609 1.193 . . . . 99.989999999999995 110.339 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.496 ' N ' ' HD3' ' B' ' 111' ' ' ARG . . . -60.18 -62.37 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.609 1.193 . . . . 99.989999999999995 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -26.18 36.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 99.989999999999995 109.281 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 8.4 tt0 -44.23 -27.6 0.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.288 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.496 ' CG2' HD22 ' A' ' 30' ' ' LEU . 5.9 p -57.4 -34.18 45.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.191 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -58.14 -23.1 53.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.268 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -64.99 -35.46 81.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.261 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 0.1 OUTLIER -81.57 -34.4 31.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.272 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.483 HD12 ' CG1' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -69.07 -14.89 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.414 1.071 . . . . 99.989999999999995 109.238 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.4 t -60.07 -27.22 66.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.988 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.35 -37.6 12.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 108.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.788 ' CE1' ' HB3' ' B' ' 124' ' ' GLU . 0.5 OUTLIER -83.25 121.06 76.77 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.977 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 96.54 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.405 1.74 . . . . 99.989999999999995 111.025 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.788 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 2.4 pt-20 -110.8 -172.45 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -85.29 137.28 33.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . 0.489 ' HA ' ' CD ' ' B' ' 129' ' ' LYS . 15.7 m-20 -67.96 -21.53 65.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.327 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -48.35 35.35 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.227 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.488 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . . . -59.59 -55.03 39.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.323 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 8.4 ptmt -60.09 -27.48 67.03 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.546 ' O ' ' CG2' ' B' ' 134' ' ' ILE . 0.9 OUTLIER -61.99 -31.37 71.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 99.989999999999995 110.222 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' B' ' 135' ' ' LEU . 0.2 OUTLIER -68.04 -46.69 70.44 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 109.211 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.431 ' NZ ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -70.45 -32.35 69.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.169 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -49.53 17.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.288 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . 0.546 ' CG2' ' O ' ' B' ' 130' ' ' GLU . 2.3 pp -63.32 -19.02 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.593 1.183 . . . . 99.989999999999995 109.245 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' B' ' 131' ' ' LEU . 0.0 OUTLIER -68.79 -11.26 60.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 109.311 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' THR . . . . . 0.447 ' HA ' ' HG3' ' B' ' 141' ' ' MET . 7.2 p -106.17 84.49 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.332 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . 0.408 ' CB ' ' CE1' ' B' ' 139' ' ' HIS . 0.0 OUTLIER -115.72 172.3 3.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.273 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.531 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.2 Cg_endo -74.92 -1.53 11.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.536 1.808 . . . . 99.989999999999995 111.054 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' HIS . . . . . 0.415 ' NE2' ' HD2' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -102.03 -56.39 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.546 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' PHE . . . . . 0.827 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -77.13 -68.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 111.082 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' MET . . . . . 0.452 ' HE2' ' O ' ' B' ' 141' ' ' MET . 0.0 OUTLIER -49.67 -44.13 47.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.367 1.042 . . . . 99.989999999999995 111.01 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -52.24 -37.12 54.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 99.989999999999995 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.487 ' C ' ' CD1' ' B' ' 143' ' ' LEU . 0.2 OUTLIER -61.27 -34.57 75.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.296 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . 0.687 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 23.8 mt -60.81 -42.45 97.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.345 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -72.68 -8.98 57.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 110.338 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 22.4 m -105.13 -17.47 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 110.39 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 1.6 t-80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.61 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.3 -0.259 . . . . 99.989999999999995 110.3 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -59.97 -28.73 67.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.078 . . . . 99.989999999999995 109.295 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -44.52 -30.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.374 1.046 . . . . 99.989999999999995 109.29 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -38.87 12.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.391 1.057 . . . . 99.989999999999995 110.252 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -26.46 64.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 110.364 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 16' ' ' MET . 5.0 tt -60.78 -33.64 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.249 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 9' ' ' VAL . 3.9 mm? -55.49 -20.82 13.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.339 1.024 . . . . 99.989999999999995 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' CG ' ' CE1' ' A' ' 18' ' ' HIS . 17.7 tt0 -87.87 -40.38 14.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.377 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 HD12 ' CB ' ' B' ' 128' ' ' ALA . 2.2 mm? -54.97 -45.99 75.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.583 ' CE ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -64.01 -47.7 79.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.039 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 15.4 tt0 -59.34 -16.05 20.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.257 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.445 ' CE1' ' CG ' ' A' ' 14' ' ' GLU . 1.7 m80 -85.53 -33.72 21.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 109.656 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.616 ' O ' ' CE1' ' B' ' 122' ' ' TYR . 0.9 OUTLIER -78.16 -34.1 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.302 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 2.0 pp0? -70.14 -3.04 14.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.352 1.032 . . . . 99.989999999999995 110.351 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' HG2' ' NE2' ' A' ' 20' ' ' GLN . 9.7 mtpp -73.24 -8.7 56.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.245 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.574 HG23 ' CD2' ' B' ' 122' ' ' TYR . 0.8 OUTLIER -84.25 -24.42 29.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.383 1.052 . . . . 99.989999999999995 110.381 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' HG21 ' A' ' 22' ' ' THR . . . 89.63 -42.52 2.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.987 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 61.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 99.989999999999995 110.356 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.712 ' O ' ' C ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -171.13 59.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.247 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.712 ' C ' ' O ' ' A' ' 25' ' ' VAL . 4.2 m-80 -6.23 115.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.225 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.11 -17.2 61.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.313 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.34 -52.21 65.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.37 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 6.5 ptmt -68.2 -41.26 81.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.581 ' CD2' ' HB3' ' A' ' 16' ' ' MET . 2.9 tm? -54.99 -34.08 63.11 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.178 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.72 -29.68 63.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.61 1.193 . . . . 99.989999999999995 109.314 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.485 ' OG ' ' NH1' ' B' ' 111' ' ' ARG . 14.8 m -54.77 -46.33 74.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.026 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.583 HD12 ' CE ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -60.44 -31.02 70.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.367 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' GLN . 18.3 mt-30 -69.3 -37.79 77.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 110.282 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.472 ' O ' ' OG ' ' A' ' 39' ' ' SER . 8.6 mt-30 -63.92 -27.01 68.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 33' ' ' LEU . 4.1 p -91.65 -40.05 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.286 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.491 ' CD2' HD21 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -73.66 -32.22 63.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.249 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' GLN . 28.6 mt-30 -86.46 14.06 7.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 35' ' ' GLN . 39.5 m -94.12 139.51 30.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 110.023 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 42' ' ' PHE . 24.8 pt-20 -74.63 -31.85 62.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.397 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' B' ' 147' ' ' HIS . 0.3 OUTLIER -46.06 -21.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 111.024 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.765 ' CE1' ' CE2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -70.77 -42.63 70.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.387 1.055 . . . . 99.989999999999995 110.906 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.15 -14.4 66.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.989 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.62 70.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 99.989999999999995 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.494 ' HB ' ' CD1' ' B' ' 143' ' ' LEU . 4.7 t -78.71 -39.12 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.399 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' NH2' ' CD ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -56.12 -31.87 63.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.404 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.74 -39.24 90.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.249 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.8 -43.13 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -51.34 -45.51 62.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 111.017 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.43 ' CD ' ' NH2' ' A' ' 46' ' ' ARG . 37.5 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.626 1.204 . . . . 99.989999999999995 110.303 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.506 ' HB ' ' CD1' ' B' ' 144' ' ' LEU . 18.2 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.274 -0.639 . . . . 99.989999999999995 109.274 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 114' ' ' GLU . 5.9 tt0 -59.18 -34.52 72.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 99.989999999999995 110.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.485 ' NH1' ' OG ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -53.07 -19.21 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.32 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.471 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . . . -56.92 -61.46 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 109.236 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -83.23 -29.88 28.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.284 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 5.0 tt0 -45.9 -28.72 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.288 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 29' ' ' LYS . 12.0 p -60.08 -33.88 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.353 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' B' ' 113' ' ' LYS . 2.1 mm? -59.39 -21.21 59.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 109.316 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 1.0 OUTLIER -58.77 -39.33 80.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.291 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.44 ' HG2' ' ND2' ' A' ' 26' ' ' ASN . 3.0 tp10 -81.14 -35.69 31.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 110.286 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.516 ' CD1' HG23 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -67.76 -15.61 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 109.426 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 19.1 m -60.96 -24.37 66.03 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.054 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 6.0 t -93.87 -34.67 13.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.183 . . . . 99.989999999999995 108.365 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.622 ' CE1' ' HB3' ' B' ' 124' ' ' GLU . 0.1 OUTLIER -86.76 118.9 70.85 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 111.019 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 94.06 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.517 1.799 . . . . 99.989999999999995 110.994 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.622 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -106.4 -173.6 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.331 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' B' ' 124' ' ' GLU . 0.2 OUTLIER -77.04 118.07 19.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.199 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . 0.55 ' HA ' ' HG2' ' B' ' 129' ' ' LYS . 2.8 p-10 -57.94 -22.68 50.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.303 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' B' ' 130' ' ' GLU . 0.5 OUTLIER -67.86 -48.04 67.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 15' ' ' LEU . . . -74.85 -33.29 62.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.413 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.55 ' HG2' ' HA ' ' B' ' 126' ' ' ASN . 0.5 OUTLIER -71.25 -46.85 60.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 109.286 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' B' ' 126' ' ' ASN . 10.4 pt-20 -61.28 -27.31 68.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.523 ' O ' HG13 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -58.89 -44.8 91.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 109.346 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.508 ' HD3' ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -72.66 -42.18 64.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.257 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -48.63 77.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 110.221 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 131' ' ' LEU . 2.7 pp -67.9 -22.68 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.259 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -69.3 -11.05 60.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 109.332 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' THR . . . . . 0.427 ' HA ' ' HG3' ' B' ' 141' ' ' MET . 17.1 p -108.75 83.92 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.464 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . 0.559 ' HB2' ' CD2' ' B' ' 139' ' ' HIS . 0.0 OUTLIER -113.81 173.95 2.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.249 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.1 Cg_endo -75.06 -3.13 13.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.569 1.826 . . . . 99.989999999999995 110.951 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' B' ' 140' ' ' PHE . 21.4 p80 -101.5 -55.94 2.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.611 1.195 . . . . 99.989999999999995 109.582 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' PHE . . . . . 0.765 ' CE2' ' CE1' ' A' ' 42' ' ' PHE . 5.6 t80 -74.89 -67.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.623 1.202 . . . . 99.989999999999995 110.986 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' MET . . . . . 0.427 ' HG3' ' HA ' ' B' ' 136' ' ' THR . 0.0 OUTLIER -50.59 -27.2 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 110.981 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -77.72 -34.01 52.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.268 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.494 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -67.31 -46.46 73.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 99.989999999999995 109.325 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . 0.506 ' CD1' ' HB ' ' B' ' 109' ' ' VAL . 3.1 pp -64.31 -35.36 80.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.322 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' GLN . . . . . 0.485 ' N ' HD12 ' B' ' 144' ' ' LEU . 37.6 tt0 -71.38 -16.09 62.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 18.2 m -102.49 -6.61 22.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.253 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 1.8 t-80 . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.643 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.321 -0.251 . . . . 99.989999999999995 110.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -72.9 -22.21 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.291 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.522 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -49.39 -28.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.377 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -93.92 -44.43 8.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.259 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -20.04 65.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.222 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 8' ' ' ASP . 0.9 OUTLIER -65.32 -36.32 77.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.298 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.583 ' CD1' ' HG2' ' A' ' 34' ' ' GLN . 2.2 mm? -53.59 -21.29 6.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.313 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 23.9 tt0 -90.17 -30.8 17.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.236 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' B' ' 131' ' ' LEU . 1.5 mm? -66.81 -55.49 14.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.348 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.557 ' CE ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -68.09 -33.05 73.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 111.022 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 1.7 tt0 -73.7 -17.82 61.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.274 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 2.4 m80 -84.11 -33.34 24.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 109.679 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.605 ' O ' ' OH ' ' B' ' 122' ' ' TYR . 16.3 m -77.45 -35.72 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.267 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.538 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 1.9 pp0? -70.41 -4.06 20.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 110.355 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.8 OUTLIER -73.55 -1.05 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.327 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.67 ' CG2' ' CD2' ' B' ' 122' ' ' TYR . 4.4 t -78.77 -15.38 58.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 110.449 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.96 -45.25 2.31 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 110.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.505 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 24.1 mm-40 -84.81 62.05 7.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 0.763 . . . . 99.989999999999995 110.352 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' B' ' 122' ' ' TYR . 47.9 t -156.69 60.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.323 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.648 ' C ' ' O ' ' A' ' 25' ' ' VAL . 3.0 m120 -16.37 101.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 8.2 t-20 -61.53 -18.7 60.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.222 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.73 70.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.271 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -72.8 -47.25 48.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.596 1.185 . . . . 99.989999999999995 109.245 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.4 tp -55.44 -48.41 74.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.375 1.047 . . . . 99.989999999999995 109.247 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' ASN . . . -56.52 -33.98 66.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 109.299 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' ' NH1' ' B' ' 111' ' ' ARG . 3.2 m -52.99 -27.78 20.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.053 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.607 ' CD2' ' N ' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -71.58 -24.91 61.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 109.347 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.607 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 39.7 mt-30 -72.12 -35.67 69.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 110.377 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 32' ' ' SER . 20.8 mm-40 -62.94 -32.05 73.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.522 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 7.7 p -89.95 -38.9 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' B' ' 135' ' ' LEU . 7.7 mt -70.01 -38.47 75.95 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.285 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' GLN . 3.8 pt20 -91.78 4.23 53.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 110.337 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.697 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -63.32 142.43 58.39 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.903 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -76.67 -38.96 53.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.374 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.711 ' CD2' ' N ' ' A' ' 42' ' ' PHE . 1.4 p90 -44.68 -34.52 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.928 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.8 ' CZ ' ' CE2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -53.48 -34.54 58.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.186 . . . . 99.989999999999995 110.97 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.421 ' HA2' ' NH1' ' A' ' 46' ' ' ARG . . . -87.45 -24.7 35.5 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.11 -44.92 67.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 99.989999999999995 109.275 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.442 ' CB ' HD12 ' B' ' 143' ' ' LEU . 10.7 t -76.21 -41.55 37.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 109.339 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' NH1' ' HA2' ' A' ' 43' ' ' GLY . 1.1 tmm_? -56.19 -30.39 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 99.989999999999995 110.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -40.21 95.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.48 -42.84 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.291 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -53.62 -46.71 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.603 1.189 . . . . 99.989999999999995 111.05 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.207 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' B' ' 144' ' ' LEU . 10.1 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.281 -0.637 . . . . 99.989999999999995 109.281 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' B' ' 114' ' ' GLU . 60.8 mt-30 -57.15 -25.85 59.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.261 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.497 ' HD2' ' N ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -47.78 -27.99 2.3 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.621 1.2 . . . . 99.989999999999995 110.329 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.461 ' CB ' HG12 ' A' ' 36' ' ' VAL . . . -61.13 -59.34 5.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.108 . . . . 99.989999999999995 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -23.7 48.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 23.4 tt0 -49.09 -28.07 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.347 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' B' ' 112' ' ' ALA . 7.5 p -57.7 -33.12 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.428 HD11 ' N ' ' B' ' 116' ' ' LEU . 0.1 OUTLIER -58.67 -22.89 58.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.312 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.581 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.1 OUTLIER -61.29 -38.14 85.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.332 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 1.0 OUTLIER -82.52 -41.22 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.253 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.512 ' O ' ' O ' ' B' ' 122' ' ' TYR . 1.8 mp -61.19 -14.42 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -23.33 58.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 109.976 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 3.2 t -95.25 -30.82 13.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 108.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.866 ' CE1' ' HB3' ' B' ' 124' ' ' GLU . 0.1 OUTLIER -90.47 132.39 35.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 111.013 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . 0.504 ' HD2' ' HD2' ' B' ' 122' ' ' TYR . 18.3 Cg_endo -75.1 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.447 1.762 . . . . 99.989999999999995 110.965 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.866 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 0.3 OUTLIER -101.01 -173.26 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 110.312 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.412 ' C ' ' OE1' ' B' ' 124' ' ' GLU . 30.4 t-20 -114.76 127.79 55.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 109.32 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 28.4 t-20 -55.85 -21.65 21.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.167 . . . . 99.989999999999995 109.348 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.67 -54.16 50.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.231 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.478 ' CB ' HG13 ' A' ' 19' ' ' VAL . . . -79.28 -41.4 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.463 ' NZ ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -58.76 -42.13 88.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.231 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.561 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 4.4 tp10 -58.86 -26.33 64.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.343 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.494 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.4 -41.22 69.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.191 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.522 ' CG ' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -71.34 -39.26 71.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.615 1.197 . . . . 99.989999999999995 109.27 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -49.73 58.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' B' ' 130' ' ' GLU . 2.7 pp -60.53 -21.72 23.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.3 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.501 ' CD2' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -70.1 -7.85 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.291 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' THR . . . . . 0.429 ' O ' ' OG1' ' B' ' 136' ' ' THR . 7.9 p -112.51 83.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 110.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . 0.426 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -114.81 173.68 2.77 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.396 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.5 Cg_endo -75.04 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 99.989999999999995 111.104 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' HIS . . . . . 0.418 ' CE1' ' CB ' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.52 -56.05 2.38 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 109.576 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' PHE . . . . . 0.8 ' CE2' ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -78.05 -70.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.912 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' MET . . . . . 0.472 ' HA ' ' CD1' ' B' ' 144' ' ' LEU . 0.0 OUTLIER -49.22 -39.75 31.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.98 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -53.53 -43.66 68.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 109.279 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.442 HD12 ' CB ' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -60.76 -34.05 73.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.342 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . 0.581 HD21 ' CE1' ' A' ' 42' ' ' PHE . 50.2 mt -59.35 -40.03 85.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -83.41 -8.88 59.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.649 1.218 . . . . 99.989999999999995 110.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 56.8 m -95.09 -18.22 21.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 110.427 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' HIS . . . . . 0.405 ' O ' ' ND1' ' B' ' 147' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.639 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.261 -0.274 . . . . 99.989999999999995 110.261 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' ILE . 22.0 m-20 -72.16 -57.28 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.289 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.569 HG22 ' CZ ' ' B' ' 140' ' ' PHE . 1.0 OUTLIER -43.49 -26.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 99.989999999999995 109.447 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.446 ' N ' ' C ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -91.84 -43.17 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 110.334 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -18.82 63.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.06 . . . . 99.989999999999995 110.403 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.509 HG21 ' O ' ' A' ' 9' ' ' VAL . 4.6 tt -66.05 -33.68 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 99.989999999999995 109.36 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 9' ' ' VAL . 3.8 mm? -55.79 -21.14 17.78 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.373 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.48 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 36.9 tt0 -86.45 -31.5 21.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.654 1.221 . . . . 99.989999999999995 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.74 -52.32 15.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.381 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.483 ' HE3' ' CD1' ' A' ' 13' ' ' LEU . 2.1 ptp -66.6 -34.58 78.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 111.081 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 3.7 tt0 -72.76 -14.97 61.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 110.32 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.51 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.7 m80 -87.09 -34.95 18.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.587 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' B' ' 128' ' ' ALA . 0.9 OUTLIER -70.94 -37.09 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.315 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.617 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -64.72 -4.16 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.275 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HG3' ' HA ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -77.86 7.19 6.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.406 1.066 . . . . 99.989999999999995 109.26 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.616 HG23 ' CD1' ' B' ' 122' ' ' TYR . 14.7 t -96.58 -24.91 15.81 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.622 1.201 . . . . 99.989999999999995 110.323 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.02 -47.57 2.94 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 99.989999999999995 110.965 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.484 ' HG2' ' CG2' ' A' ' 22' ' ' THR . 2.2 pm0 -72.97 62.74 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.397 0.704 . . . . 99.989999999999995 110.285 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.721 ' O ' ' C ' ' A' ' 26' ' ' ASN . 11.2 p -172.86 52.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.331 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.721 ' C ' ' O ' ' A' ' 25' ' ' VAL . 1.4 m-80 -0.86 104.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.276 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -62.54 -17.96 61.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.381 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.19 70.59 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 109.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB2' ' CZ ' ' B' ' 111' ' ' ARG . 5.9 ptpp? -72.44 -39.23 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.277 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CD2' ' SD ' ' A' ' 16' ' ' MET . 1.1 tm? -55.18 -35.84 65.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.233 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLN . . . -71.21 -39.29 71.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.516 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -52.38 -22.68 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.979 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.543 ' CD2' ' HD3' ' B' ' 132' ' ' LYS . 35.1 tp -79.93 -27.71 39.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.41 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.472 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 15.0 mt-30 -75.22 -46.96 30.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 99.989999999999995 110.332 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 32' ' ' SER . 1.9 pp0? -58.79 -23.53 60.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.547 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 3.6 p -91.97 -37.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.244 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 12' ' ' ILE . 3.6 mp -76.19 -39.45 54.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.261 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 34' ' ' GLN . 13.1 mt-30 -85.18 4.67 33.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.34 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.688 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -62.05 143.28 56.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.997 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 41' ' ' PHE . 17.0 pt-20 -74.11 -46.57 41.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.688 ' CE1' ' CB ' ' A' ' 39' ' ' SER . 2.3 p90 -42.49 -36.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 111.039 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.846 ' CZ ' ' CE2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -53.81 -39.39 65.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 111.052 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 46' ' ' ARG . . . -86.15 -29.47 25.28 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 111.051 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.63 -34.71 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 99.989999999999995 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' B' ' 143' ' ' LEU . 21.3 t -77.89 -47.94 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.22 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -55.33 -26.19 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 99.989999999999995 110.271 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.49 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.9 mt-10 -62.75 -44.68 95.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.252 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.2 t -68.26 -35.86 72.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.374 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -45.73 72.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 111.047 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.357 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.497 ' CG1' ' HB3' ' B' ' 144' ' ' LEU . 16.3 m . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.304 -0.628 . . . . 99.989999999999995 109.304 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.425 ' HA ' ' NZ ' ' B' ' 113' ' ' LYS . 7.1 tt0 -58.27 -34.08 70.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 99.989999999999995 110.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.9 -22.96 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 110.359 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . . . -56.03 -61.23 2.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.203 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -81.16 -32.07 33.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.334 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 8.9 tt0 -44.77 -29.09 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 110.357 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 29' ' ' LYS . 2.7 p -60.28 -33.93 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.263 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' B' ' 113' ' ' LYS . 7.3 mt -60.89 -22.09 63.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 109.337 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -59.97 -38.22 81.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.334 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.431 ' N ' ' OE1' ' B' ' 117' ' ' GLU . 11.7 tp10 -81.84 -23.35 36.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.237 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.476 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -77.97 -13.01 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 99.989999999999995 109.376 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -60.68 -29.99 69.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.998 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.6 t -88.45 -34.92 17.33 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 108.313 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.667 ' CZ ' ' HB3' ' B' ' 124' ' ' GLU . 0.1 OUTLIER -84.03 120.13 74.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 110.883 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 97.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.418 1.746 . . . . 99.989999999999995 111.086 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.667 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 4.2 pt-20 -110.44 -172.18 1.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 99.989999999999995 110.298 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -80.73 132.73 35.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 109.341 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 13.4 m-20 -65.97 -22.5 66.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.283 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.43 -36.65 57.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.346 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.508 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . . . -70.02 -54.54 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.378 1.049 . . . . 99.989999999999995 109.337 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 5.1 ptmt -62.73 -31.65 72.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.288 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 47.3 tt0 -63.68 -36.5 84.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.35 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.542 ' O ' HG13 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -58.27 -41.04 83.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.337 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.543 ' HD3' ' CD2' ' A' ' 33' ' ' LEU . 1.2 mmmt -72.76 -43.6 62.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.367 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -40.96 88.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.248 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 131' ' ' LEU . 2.5 pp -74.75 -18.81 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.239 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -28.31 67.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.266 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' THR . . . . . 0.482 ' O ' ' OG1' ' B' ' 136' ' ' THR . 3.5 p -85.43 83.23 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.661 1.225 . . . . 99.989999999999995 110.389 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . 0.534 ' HB3' ' CE1' ' B' ' 139' ' ' HIS . 0.3 OUTLIER -109.96 169.58 6.24 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.374 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.0 Cg_endo -75.05 0.48 8.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 99.989999999999995 110.939 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.6 -55.76 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.619 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' PHE . . . . . 0.846 ' CE2' ' CZ ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -77.55 -67.75 0.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 110.978 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' MET . . . . . 0.43 ' HE2' ' O ' ' B' ' 141' ' ' MET . 0.0 OUTLIER -50.63 -44.06 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 111.064 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -53.33 -41.55 65.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.383 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' B' ' 143' ' ' LEU . 0.2 OUTLIER -60.83 -34.87 75.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.297 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . 0.583 HD22 ' CE2' ' A' ' 42' ' ' PHE . 38.2 mt -59.8 -43.03 94.66 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.202 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -78.67 -8.17 58.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.375 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.1 m -104.37 -18.79 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.338 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.044 . . . . 99.989999999999995 109.623 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.241 -0.281 . . . . 99.989999999999995 110.241 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 12' ' ' ILE . 8.5 m-20 -66.88 -39.67 87.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.299 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 1.2 t -44.01 -28.05 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.379 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -94.73 -40.9 9.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.322 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 7.1 tpt180 -69.81 -19.0 63.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.254 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 8' ' ' ASP . 3.6 tt -68.28 -37.51 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 99.989999999999995 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 9' ' ' VAL . 3.4 mm? -55.47 -20.51 12.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.648 1.218 . . . . 99.989999999999995 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.461 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 25.8 tt0 -81.82 -46.48 14.11 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.63 1.207 . . . . 99.989999999999995 110.339 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.49 -47.54 81.63 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.303 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.618 ' CE ' HD23 ' A' ' 33' ' ' LEU . 1.8 mtp -59.34 -45.97 89.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.949 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 1.2 tp10 -64.17 -15.42 59.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 99.989999999999995 110.27 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -87.53 -34.76 18.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 99.989999999999995 109.531 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.574 ' O ' ' CE2' ' B' ' 122' ' ' TYR . 1.0 OUTLIER -74.39 -33.19 32.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 109.292 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.618 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 1.1 pp0? -70.45 -3.02 15.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 99.989999999999995 110.311 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' N ' HE21 ' A' ' 20' ' ' GLN . 42.7 mtpt -76.45 0.72 18.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.363 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.626 HG23 ' CE2' ' B' ' 122' ' ' TYR . 6.3 t -92.38 -24.9 18.74 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.596 1.185 . . . . 99.989999999999995 110.39 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.59 -44.17 3.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' B' ' 122' ' ' TYR . 0.4 OUTLIER -77.91 62.95 2.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.44 0.729 . . . . 99.989999999999995 110.291 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.719 ' O ' ' C ' ' A' ' 26' ' ' ASN . 7.6 p -170.95 56.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.395 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.719 ' C ' ' O ' ' A' ' 25' ' ' VAL . 5.3 m-80 -1.56 102.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -62.62 -30.96 71.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.317 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.27 74.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.343 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' NZ ' HD13 ' B' ' 119' ' ' ILE . 0.1 OUTLIER -70.75 -46.46 62.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.228 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.587 ' CD1' ' HB3' ' A' ' 16' ' ' MET . 1.4 tp -58.29 -31.75 67.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.254 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.06 88.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.245 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.418 ' O ' HG11 ' A' ' 36' ' ' VAL . 49.4 m -53.31 -28.8 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.96 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.647 ' CD1' ' HD2' ' B' ' 132' ' ' LYS . 1.7 tp -69.89 -36.92 75.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.31 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.509 ' HG2' ' CE ' ' A' ' 16' ' ' MET . 30.7 mt-30 -68.23 -38.13 81.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 110.255 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 39' ' ' SER . 39.2 mm-40 -61.1 -29.89 70.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.512 ' CG2' HG21 ' B' ' 109' ' ' VAL . 2.3 p -90.44 -45.37 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.325 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.526 HD21 ' CD1' ' A' ' 33' ' ' LEU . 1.9 mp -67.45 -21.95 65.52 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.317 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 27.7 mt-30 -102.4 -2.71 28.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.386 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 40.2 t -66.97 142.13 57.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 99.989999999999995 109.997 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLY . 2.0 mp0 -74.69 -32.34 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -40.46 -30.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 99.989999999999995 110.976 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.796 ' CZ ' ' CE1' ' B' ' 140' ' ' PHE . 0.2 OUTLIER -60.43 -42.25 95.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 99.989999999999995 111.058 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' A' ' 46' ' ' ARG . . . -70.03 -42.19 68.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 111.067 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.64 -35.35 70.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.743 . . . . 99.989999999999995 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.548 ' CG1' ' CD1' ' B' ' 143' ' ' LEU . 24.5 t -76.88 -49.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.424 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 2.7 ppt_? -64.11 -26.44 68.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 110.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -35.65 80.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.381 1.05 . . . . 99.989999999999995 110.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.94 -29.57 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.335 1.022 . . . . 99.989999999999995 109.364 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -66.78 -45.06 79.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 111.022 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 99.989999999999995 110.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.525 ' O ' ' HB1' ' B' ' 112' ' ' ALA . 11.1 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.273 -0.639 . . . . 99.989999999999995 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -58.9 -22.39 59.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.523 ' O ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -62.19 -22.46 65.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.329 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' B' ' 109' ' ' VAL . . . -53.03 -61.35 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.22 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -74.07 -29.5 61.91 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.324 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . 0.494 ' CB ' ' HA ' ' B' ' 111' ' ' ARG . 35.0 tt0 -46.18 -28.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.353 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 17.0 m -60.91 -33.96 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 109.333 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.504 ' CD2' ' HD3' ' B' ' 132' ' ' LYS . 1.7 mm? -60.26 -21.8 62.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.338 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 9.0 pt-20 -59.66 -40.74 88.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.068 . . . . 99.989999999999995 110.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.94 -29.54 35.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 110.182 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.503 ' HB ' ' HA ' ' B' ' 116' ' ' LEU . 0.5 OUTLIER -65.05 -15.98 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.24 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -24.64 65.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 99.989999999999995 110.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.1 t -95.9 -30.71 13.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 108.208 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.673 ' CZ ' ' HB3' ' B' ' 124' ' ' GLU . 0.1 OUTLIER -93.86 116.79 66.9 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 111.033 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 94.56 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.6 1.842 . . . . 99.989999999999995 111.008 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.673 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -98.3 -174.19 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.322 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.444 ' HB3' ' CB ' ' B' ' 128' ' ' ALA . 54.6 t-20 -79.85 120.63 24.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 109.236 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . 0.563 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 49.6 m-80 -51.09 -30.12 15.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.365 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.04 -40.94 60.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.279 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' B' ' 125' ' ' ASN . . . -65.95 -54.48 25.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.306 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -64.45 -30.25 71.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 8.8 tt0 -61.7 -27.52 68.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.344 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.496 ' HA ' ' CG1' ' B' ' 134' ' ' ILE . 0.0 OUTLIER -70.1 -39.59 75.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.634 1.209 . . . . 99.989999999999995 109.366 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.647 ' HD2' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -71.96 -38.92 69.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.349 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -70.0 -49.71 48.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 110.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' B' ' 130' ' ' GLU . 2.6 pp -60.86 -18.8 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.638 1.211 . . . . 99.989999999999995 109.328 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.495 HD12 ' CD1' ' B' ' 140' ' ' PHE . 0.2 OUTLIER -68.86 -22.11 64.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.394 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' THR . . . . . 0.494 ' O ' ' OG1' ' B' ' 136' ' ' THR . 2.6 p -97.38 84.0 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.378 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . 0.573 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -111.94 -178.23 0.51 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 110.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' B' ' 137' ' ' GLN . 17.9 Cg_endo -75.06 -0.59 10.17 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 99.989999999999995 110.938 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.89 -56.62 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.574 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' PHE . . . . . 0.796 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.73 -74.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 99.989999999999995 110.969 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' MET . . . . . 0.492 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 1.0 OUTLIER -46.5 -34.26 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.983 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -62.92 -43.54 98.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.548 ' CD1' ' CG1' ' A' ' 45' ' ' VAL . 1.5 mm? -67.14 -35.63 80.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.277 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . 0.501 ' HB3' ' CG2' ' B' ' 109' ' ' VAL . 9.9 mt -68.47 -36.71 79.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.291 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -91.63 -7.04 51.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.355 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' B' ' 142' ' ' ALA . 8.7 m -100.11 -14.99 18.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.38 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 109.593 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.277 -0.268 . . . . 99.989999999999995 110.277 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 12' ' ' ILE . 2.2 t0 -63.75 -19.02 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 12' ' ' ILE . 7.5 p -43.39 -27.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.188 . . . . 99.989999999999995 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.428 ' N ' ' C ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -94.84 -42.91 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 99.989999999999995 110.27 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -71.24 -21.2 62.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.63 1.206 . . . . 99.989999999999995 110.248 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.595 ' N ' ' O ' ' A' ' 8' ' ' ASP . 4.8 tt -61.05 -33.67 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 2.9 mm? -55.62 -18.31 7.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.585 1.178 . . . . 99.989999999999995 109.35 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.503 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 23.2 tt0 -87.61 -31.03 20.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 110.378 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.25 -50.42 53.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.619 1.2 . . . . 99.989999999999995 109.262 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.595 ' CE ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -62.86 -49.72 73.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.967 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 9.0 pt-20 -57.96 -19.04 27.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.249 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 1.6 m80 -81.25 -35.66 30.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 109.64 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.522 ' O ' HG22 ' A' ' 22' ' ' THR . 1.3 m -78.59 -35.6 18.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.413 1.071 . . . . 99.989999999999995 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.475 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 1.2 pt20 -67.35 -3.21 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -74.88 -2.92 29.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.229 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.673 HG21 ' CD2' ' B' ' 122' ' ' TYR . 13.3 t -88.08 -19.74 26.66 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 110.402 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.01 -48.92 1.77 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 111.031 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.53 ' HG2' ' CG2' ' A' ' 22' ' ' THR . 0.7 OUTLIER -75.53 59.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 99.989999999999995 110.359 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.702 ' O ' ' C ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -157.18 49.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.587 1.18 . . . . 99.989999999999995 109.276 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.702 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.5 m-80 -9.46 107.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.55 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 12.5 t30 -62.18 -18.15 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.3 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.12 -46.72 79.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.507 ' HG2' ' CB ' ' A' ' 26' ' ' ASN . 5.5 pttp -72.41 -43.29 64.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 10.5 tt -67.53 -27.98 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.243 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 27' ' ' ASN . . . -72.42 -30.33 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.334 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.404 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -59.73 -45.79 91.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 109.988 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD23 ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -56.8 -24.18 48.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.382 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.708 ' N ' HD23 ' A' ' 33' ' ' LEU . 48.5 mt-30 -71.84 -35.85 70.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 110.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.436 ' HB2' ' NH2' ' B' ' 111' ' ' ARG . 42.9 mm-40 -60.34 -30.6 69.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 99.989999999999995 110.239 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.428 HG11 ' N ' ' A' ' 37' ' ' LEU . 11.4 p -91.19 -38.21 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.428 ' N ' HG11 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -74.06 -19.14 60.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.25 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 34' ' ' GLN . 37.3 mm-40 -107.99 13.67 25.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 99.989999999999995 110.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 42.2 t -91.79 141.07 29.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 110.023 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 42' ' ' PHE . 1.3 tp10 -74.94 -30.7 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 110.26 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CE1' HD23 ' B' ' 144' ' ' LEU . 0.3 OUTLIER -45.19 -21.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 110.959 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.756 ' CE2' ' CD2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -71.31 -38.08 71.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 111.003 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.54 -28.45 29.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 111.005 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.05 85.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 99.989999999999995 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.2 t -75.04 -39.76 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 99.989999999999995 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -30.24 63.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 110.26 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -46.53 78.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.385 1.053 . . . . 99.989999999999995 110.31 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.38 -47.06 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.408 1.067 . . . . 99.989999999999995 109.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.5 -44.31 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 111.045 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.4 1.062 . . . . 99.989999999999995 110.258 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 110' ' ' GLN . 32.9 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.353 -0.61 . . . . 99.989999999999995 109.353 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.428 ' N ' HG23 ' B' ' 109' ' ' VAL . 0.7 OUTLIER -66.11 -23.28 66.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.293 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.5 ' HD3' ' N ' ' B' ' 112' ' ' ALA . 0.0 OUTLIER -57.76 -19.37 27.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 110.25 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.5 ' N ' ' HD3' ' B' ' 111' ' ' ARG . . . -64.01 -56.29 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.344 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . 0.435 ' HA ' ' CD2' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -79.09 -25.33 43.05 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.331 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 15.7 tt0 -50.26 -28.12 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.405 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.471 HG22 ' CG ' ' A' ' 29' ' ' LYS . 4.9 p -58.81 -33.99 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 99.989999999999995 109.367 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' B' ' 113' ' ' LYS . 1.5 mm? -56.7 -22.31 34.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.193 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.2 OUTLIER -59.18 -38.94 81.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 110.371 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.474 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 5.7 tp10 -81.99 -35.97 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.198 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.526 ' O ' ' O ' ' B' ' 122' ' ' TYR . 0.5 OUTLIER -60.3 -16.14 11.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.287 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -23.46 63.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.022 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.86 -23.98 16.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 108.311 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.725 ' CZ ' ' HB3' ' B' ' 124' ' ' GLU . 0.1 OUTLIER -101.9 121.73 49.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 111.051 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 95.57 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.428 1.751 . . . . 99.989999999999995 111.075 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.725 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -98.23 -173.85 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 110.216 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.428 ' HB3' ' CB ' ' B' ' 128' ' ' ALA . 54.8 t-20 -87.7 123.44 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.184 . . . . 99.989999999999995 109.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . 0.593 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 21.3 m120 -51.66 -31.41 25.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.51 -49.71 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.309 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.461 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . . . -59.81 -46.48 89.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.276 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -72.88 -28.7 62.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.287 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.593 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 0.0 OUTLIER -62.28 -34.47 76.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 110.32 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.481 ' CG ' HG13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.94 -43.38 95.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.22 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.573 ' CG ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -69.25 -35.78 76.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.222 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' B' ' 133' ' ' ARG . 8.6 ttm105 -71.25 -49.12 46.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.175 . . . . 99.989999999999995 110.289 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . 0.465 ' CD1' HD13 ' B' ' 131' ' ' LEU . 2.4 pp -61.75 -22.66 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' B' ' 131' ' ' LEU . 0.1 OUTLIER -70.4 -7.58 44.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.31 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' B' ' 136' ' ' THR . 6.0 p -108.74 85.01 2.02 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.362 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . 0.596 ' HB3' ' HD2' ' B' ' 138' ' ' PRO . 0.8 OUTLIER -112.95 175.47 1.84 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.633 1.208 . . . . 99.989999999999995 110.228 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.596 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.0 Cg_endo -75.06 -2.88 13.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 99.989999999999995 110.931 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' B' ' 137' ' ' GLN . 15.7 p80 -102.72 -50.67 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.66 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' PHE . . . . . 0.756 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.38 -72.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 110.966 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 3.4 tpt -48.55 -26.82 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 111.036 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.73 -32.64 60.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' B' ' 140' ' ' PHE . 0.2 OUTLIER -74.96 -35.33 62.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.347 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . 0.593 HD23 ' CE1' ' A' ' 41' ' ' PHE . 17.7 mt -60.22 -36.06 76.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.641 1.213 . . . . 99.989999999999995 109.278 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -78.08 -15.23 59.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.189 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 88.6 m -95.13 -18.36 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.379 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' HIS . . . . . 0.543 ' O ' ' ND1' ' B' ' 147' ' ' HIS . 21.8 t-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.639 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.258 -0.275 . . . . 99.989999999999995 110.258 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 12' ' ' ILE . 2.4 m-20 -71.97 -22.19 61.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.212 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.584 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -50.4 -29.27 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.614 1.196 . . . . 99.989999999999995 109.231 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -91.95 -43.76 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -65.28 -19.64 66.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 110.344 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.51 HG13 ' CG ' ' B' ' 131' ' ' LEU . 2.9 tt -69.11 -32.46 54.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.319 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.635 ' HA ' ' HE1' ' A' ' 16' ' ' MET . 3.6 mm? -59.63 -19.2 47.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 11.8 tt0 -83.23 -50.91 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.281 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.403 HD12 ' HG ' ' B' ' 131' ' ' LEU . 1.2 mt -59.14 -42.59 91.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 99.989999999999995 109.334 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.649 ' CE ' ' CD2' ' A' ' 33' ' ' LEU . 4.0 mtp -53.6 -49.13 68.46 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.953 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HA ' ' CG ' ' A' ' 20' ' ' GLN . 1.6 tt0 -70.85 -19.06 62.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.423 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.524 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.8 m80 -78.84 -35.95 43.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.678 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.621 ' O ' ' OH ' ' B' ' 122' ' ' TYR . 4.8 m -79.46 -40.37 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.56 ' NE2' ' C ' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -66.0 -3.67 5.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 110.256 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.524 ' HG3' ' HA ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -68.63 -8.71 44.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 109.371 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.591 HG22 ' CE2' ' B' ' 122' ' ' TYR . 11.8 t -81.17 -23.36 38.27 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.378 1.048 . . . . 99.989999999999995 110.373 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.08 -41.93 3.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 111.016 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 61.54 0.79 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 0.719 . . . . 99.989999999999995 110.268 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.707 ' O ' ' C ' ' A' ' 26' ' ' ASN . 2.2 p -171.67 57.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.304 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 25' ' ' VAL . 3.6 m-80 -3.43 106.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 99.989999999999995 109.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' ALA . 3.2 p-10 -61.1 -26.01 67.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 99.989999999999995 109.348 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.44 83.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.31 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.488 ' HG2' ' N ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -72.58 -39.18 67.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.343 1.027 . . . . 99.989999999999995 109.254 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 4.5 tp -72.46 -30.88 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.526 ' HA ' ' HG3' ' A' ' 34' ' ' GLN . . . -62.73 -48.92 77.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.327 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.473 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 2.4 m -54.35 -28.92 46.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.058 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.649 ' CD2' ' CE ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -71.06 -26.88 63.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.653 1.221 . . . . 99.989999999999995 109.259 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.614 ' HG2' ' HE3' ' A' ' 16' ' ' MET . 19.4 mt-30 -75.17 -32.35 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.387 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' A' ' 32' ' ' SER . 20.7 mm-40 -66.62 -45.03 80.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 110.342 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.593 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 7.2 p -71.85 -33.15 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 99.989999999999995 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 4.3 mp -78.72 -40.52 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.358 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 34' ' ' GLN . 14.6 mt-30 -86.99 7.98 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 110.393 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.72 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -70.33 139.56 52.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 110.024 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.99 -35.69 59.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.261 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.72 ' CE2' ' CB ' ' A' ' 39' ' ' SER . 1.6 p90 -49.93 -31.47 12.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.958 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.657 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -55.44 -47.59 75.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.951 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' HA2' ' CZ ' ' A' ' 46' ' ' ARG . . . -78.82 -32.53 40.36 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.558 1.162 . . . . 99.989999999999995 110.987 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.427 ' O ' ' CG ' ' A' ' 47' ' ' GLU . . . -68.82 -43.93 74.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 99.989999999999995 109.346 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.438 HG21 ' CD2' ' B' ' 147' ' ' HIS . 24.4 t -78.35 -33.39 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 3.7 tmm_? -68.22 -35.0 77.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -64.6 -24.91 67.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 110.281 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.466 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 88.6 t -67.87 -40.17 83.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -62.83 -46.63 87.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.344 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' B' ' 144' ' ' LEU . 33.4 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.349 -0.612 . . . . 99.989999999999995 109.349 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.417 ' HA ' ' CD ' ' B' ' 113' ' ' LYS . 20.0 pt20 -73.4 -34.61 65.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.175 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -53.68 -18.44 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.241 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.479 ' O ' ' CG1' ' B' ' 115' ' ' VAL . . . -67.56 -51.83 45.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 109.251 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -83.11 -29.83 28.41 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.253 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 1.8 tt0 -45.83 -28.79 1.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.614 1.196 . . . . 99.989999999999995 110.234 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' B' ' 112' ' ' ALA . 7.3 p -58.91 -33.71 50.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.323 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' B' ' 113' ' ' LYS . 1.5 mm? -63.83 -22.56 66.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.388 1.055 . . . . 99.989999999999995 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 1.1 pp20? -58.83 -39.5 81.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 110.29 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.465 ' O ' ' CD ' ' B' ' 118' ' ' GLU . 0.3 OUTLIER -80.41 -38.65 29.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 110.345 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' B' ' 122' ' ' TYR . 0.7 OUTLIER -57.35 -15.24 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.329 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 4.5 t -60.11 -26.19 66.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.016 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 3.5 t -94.82 -33.66 12.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 108.31 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.694 ' CZ ' ' HB3' ' B' ' 124' ' ' GLU . 0.1 OUTLIER -88.53 117.76 68.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.976 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.482 1.78 . . . . 99.989999999999995 110.976 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.694 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 2.7 pt-20 -108.11 -174.3 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.474 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 33.0 t-20 -70.72 120.32 16.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.271 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . 0.528 ' HA ' ' CE ' ' B' ' 129' ' ' LYS . 6.0 m120 -56.32 -24.7 45.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -51.2 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.458 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -55.71 -54.27 46.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.318 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.528 ' CE ' ' HA ' ' B' ' 126' ' ' ASN . 1.5 ptpt -60.67 -27.03 67.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.27 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' B' ' 126' ' ' ASN . 8.2 mt-10 -73.14 -31.68 64.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.51 ' CG ' HG13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -57.14 -40.56 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.255 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.517 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 3.0 mmmt -73.32 -37.35 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.357 1.036 . . . . 99.989999999999995 109.352 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -67.76 -41.93 82.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 110.302 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 131' ' ' LEU . 2.0 pp -71.1 -25.4 25.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.5 ' CD1' HD13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -68.62 -10.79 58.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.323 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' B' ' 136' ' ' THR . 10.9 p -105.85 82.75 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 110.37 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . 0.576 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -111.93 -177.5 0.45 Allowed Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.357 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' B' ' 137' ' ' GLN . 18.5 Cg_endo -74.95 -1.11 10.78 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.793 . . . . 99.989999999999995 110.983 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -53.78 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.664 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' PHE . . . . . 0.542 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -78.41 -71.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 111.018 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' MET . . . . . 0.5 ' HE3' ' CD1' ' B' ' 144' ' ' LEU . 6.0 tpt -49.53 -26.38 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 111.025 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.97 -35.06 59.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 109.287 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -66.66 -35.94 81.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.403 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' LEU . . . . . 0.535 HD22 ' CE2' ' A' ' 42' ' ' PHE . 10.1 mt -68.24 -37.09 80.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.602 1.189 . . . . 99.989999999999995 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -77.01 -8.09 56.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 99.989999999999995 110.22 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.2 -5.57 13.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.395 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' HIS . . . . . 0.438 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.6 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.085 -0.806 . . . . 99.989999999999995 111.085 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.19 177.79 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.577 0.81 . . . . 99.989999999999995 109.942 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.441 ' CD1' ' HG ' ' A' ' 5' ' ' LEU . 1.3 pt? -59.24 137.34 58.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 99.989999999999995 109.285 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.499 ' N ' HD21 ' A' ' 4' ' ' ASN . 1.0 OUTLIER -71.02 -30.71 67.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.41 1.069 . . . . 99.989999999999995 109.199 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.441 ' HG ' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -54.82 -45.35 74.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.326 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -62.6 -44.14 97.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.312 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -38.73 84.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 12' ' ' ILE . 1.2 m-20 -71.8 -20.59 61.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.248 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.593 HG21 ' CZ ' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -55.63 -30.09 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.302 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.15 -40.09 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.274 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -68.68 -19.07 64.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.262 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.486 HG23 ' CD2' ' A' ' 13' ' ' LEU . 8.6 tt -69.36 -35.3 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.199 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.513 ' CD1' ' HG2' ' A' ' 34' ' ' GLN . 2.9 mm? -62.01 -19.82 63.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.315 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.514 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 5.8 tt0 -80.25 -49.07 12.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 110.33 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.15 -43.32 99.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.284 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.569 ' CE ' HD22 ' A' ' 33' ' ' LEU . 8.6 mtp -57.44 -46.49 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 111.033 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 1.1 tp10 -69.54 -16.8 63.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 110.229 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.514 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -84.85 -43.88 13.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.622 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.477 ' O ' ' CE1' ' B' ' 122' ' ' TYR . 3.4 m -72.1 -30.52 36.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.357 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.558 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -70.45 -1.69 11.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 110.229 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 17' ' ' GLU . 2.7 mmmt -82.44 8.41 11.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.245 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.612 HG21 ' CE1' ' B' ' 122' ' ' TYR . 9.2 t -91.58 -23.02 20.03 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.379 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.77 -45.51 3.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.083 . . . . 99.989999999999995 111.049 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -78.86 63.07 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 99.989999999999995 110.387 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.722 ' O ' ' C ' ' A' ' 26' ' ' ASN . 12.2 p -170.14 43.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.722 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -0.16 108.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.329 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -60.49 -13.81 15.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.366 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.33 -52.55 61.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -72.77 -44.7 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.274 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 30' ' ' LEU . 1.1 tm? -54.31 -47.94 71.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.325 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.24 -41.35 94.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.305 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -54.14 -34.08 59.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.932 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.569 HD22 ' CE ' ' A' ' 16' ' ' MET . 0.7 OUTLIER -68.31 -30.55 69.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.314 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HG2' ' CE ' ' A' ' 16' ' ' MET . 46.2 mt-30 -69.88 -37.84 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 99.989999999999995 110.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -60.8 -32.59 71.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 99.989999999999995 110.307 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.505 HG12 ' CB ' ' B' ' 112' ' ' ALA . 7.5 p -88.41 -38.32 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -68.49 -39.12 81.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.275 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -91.61 6.21 46.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.63 ' OG ' ' CE1' ' A' ' 41' ' ' PHE . 84.6 p -61.6 141.98 57.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 109.997 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.42 -33.0 58.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.336 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.637 ' CD2' ' C ' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -53.98 -31.14 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.075 . . . . 99.989999999999995 110.987 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.826 ' CZ ' ' CE1' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -57.66 -45.6 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.989 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.12 -36.73 30.66 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 110.968 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.12 93.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 99.989999999999995 109.296 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 t -77.35 -41.83 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.334 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 1.7 tmt_? -56.55 -29.35 61.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.312 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.46 -41.43 93.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.584 1.178 . . . . 99.989999999999995 110.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.01 -44.38 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 99.989999999999995 109.262 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -46.58 62.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -67.51 -38.29 84.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.342 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 m -61.54 -48.34 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.451 1.095 . . . . 99.989999999999995 110.396 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 53' ' ' TYR . 12.0 p -66.37 -41.94 89.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 99.989999999999995 109.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.418 ' N ' HG12 ' A' ' 52' ' ' VAL . 2.8 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 111.049 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.432 ' N ' ' OD2' ' B' ' 148' ' ' ASP . 28.7 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.963 -0.384 . . . . 99.989999999999995 109.963 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.04 -27.51 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.441 ' O ' ' NH1' ' B' ' 111' ' ' ARG . . . -65.36 -42.47 92.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 109.437 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' B' ' 144' ' ' LEU . 10.8 m -67.88 -39.66 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.28 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' B' ' 114' ' ' GLU . 4.1 tt0 -56.94 -33.11 66.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.326 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.546 ' C ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -57.49 -25.57 59.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.352 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.505 ' CB ' HG12 ' A' ' 36' ' ' VAL . . . -62.86 -61.31 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 109.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . 0.534 ' HD2' ' N ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -76.82 -20.14 56.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.335 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' B' ' 113' ' ' LYS . 60.8 tt0 -45.97 -36.5 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.333 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.52 ' CG2' ' HG3' ' A' ' 29' ' ' LYS . 2.5 p -59.18 -33.2 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.247 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.553 HD21 ' CB ' ' B' ' 132' ' ' LYS . 0.1 OUTLIER -66.15 -30.8 71.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.248 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' B' ' 118' ' ' GLU . 0.0 OUTLIER -59.33 -35.6 74.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.33 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 4.5 tp10 -82.16 -29.59 31.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.278 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.446 HD11 ' CG2' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -69.46 -12.69 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.332 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -59.1 -26.85 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.043 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 4.0 t -93.35 -38.01 11.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 108.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.612 ' CE1' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -81.82 117.4 68.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 99.989999999999995 111.009 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 96.15 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.472 1.775 . . . . 99.989999999999995 110.992 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.598 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 3.2 pt-20 -110.63 -179.58 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 61.4 t-20 -61.72 115.48 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.325 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.496 ' HA ' ' CE ' ' B' ' 129' ' ' LYS . 16.1 p-10 -51.51 -26.24 8.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.255 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.71 -48.65 18.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.28 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.407 ' CB ' ' HB3' ' B' ' 125' ' ' ASN . . . -59.31 -54.53 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.264 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.496 ' CE ' ' HA ' ' B' ' 126' ' ' ASN . 1.1 ptpt -58.72 -29.48 66.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.328 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -72.77 -26.45 61.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 110.365 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' B' ' 134' ' ' ILE . 0.0 OUTLIER -63.35 -41.92 98.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.217 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.553 ' CB ' HD21 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -69.58 -33.3 72.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.258 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.89 -49.65 28.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 110.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' B' ' 131' ' ' LEU . 2.4 pp -63.64 -18.92 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.242 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' B' ' 140' ' ' PHE . 0.2 OUTLIER -68.51 -8.5 41.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.317 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' THR . . . . . 0.468 ' O ' ' OG1' ' B' ' 136' ' ' THR . 4.4 p -108.02 84.77 2.0 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.622 1.201 . . . . 99.989999999999995 110.397 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.529 ' HB3' ' HD2' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -115.13 179.39 0.79 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.365 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.4 Cg_endo -74.99 -0.2 9.67 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.484 1.781 . . . . 99.989999999999995 110.997 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' HIS . . . . . 0.411 ' ND1' ' HB2' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.88 -55.83 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.634 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' PHE . . . . . 0.826 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -78.24 -72.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 110.963 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 3.5 tpt -48.18 -27.2 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 111.032 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.02 -34.2 61.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.333 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' B' ' 143' ' ' LEU . 0.2 OUTLIER -73.68 -35.1 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.243 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . 0.583 ' CD2' ' CE1' ' A' ' 42' ' ' PHE . 21.6 mt -61.27 -40.2 93.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -76.82 -13.66 59.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 99.989999999999995 110.26 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -95.94 -13.94 23.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.372 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' HIS . . . . . 0.551 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -109.74 -31.81 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.613 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' B' ' 106' ' ' SER . 1.5 t70 -65.99 -14.96 62.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 109.29 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.07 -48.58 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 109.207 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' B' ' 154' ' ' VAL . 2.7 m -78.05 -39.95 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.31 -42.17 66.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.344 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . 0.663 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.1 OUTLIER -74.41 -31.22 62.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.596 1.185 . . . . 99.989999999999995 109.627 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -24.76 51.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 110.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' B' ' 150' ' ' VAL . 0.4 OUTLIER -48.91 -32.67 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.223 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' TYR . . . . . 0.663 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 7.8 p90 -115.41 35.48 4.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 111.018 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' SER . . . . . 0.446 ' C ' ' O ' ' B' ' 155' ' ' TYR . 31.5 m -35.29 120.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.038 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -49.16 114.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.332 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -11.7 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 99.989999999999995 110.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.32 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.842 . . . . 99.989999999999995 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -121.42 -178.78 3.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 99.989999999999995 109.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.77 97.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.33 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -125.92 17.67 7.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.224 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.596 HD21 ' CD2' ' B' ' 139' ' ' HIS . 0.6 OUTLIER -53.44 -38.53 63.62 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.351 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 36.9 tt0 -69.2 -37.59 78.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 99.989999999999995 110.268 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -44.49 52.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.246 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 9' ' ' VAL . 16.1 p30 -71.91 -19.2 61.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.213 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.531 ' CG2' ' CD1' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -44.88 -30.36 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 109.264 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -44.82 7.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.361 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -19.84 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.415 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' ASP . 3.5 tt -65.32 -32.23 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' CD1' ' HE1' ' A' ' 16' ' ' MET . 1.1 mm? -66.89 -21.15 66.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.58 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 3.9 tt0 -80.39 -47.72 14.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 110.235 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' CD1' HD22 ' B' ' 131' ' ' LEU . 1.4 mt -61.63 -34.52 75.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.317 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.488 ' CE ' ' CD1' ' A' ' 33' ' ' LEU . 6.5 mtm -66.97 -46.22 75.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.99 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 26.9 tt0 -65.42 -14.9 61.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.233 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.58 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -85.22 -39.72 17.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.514 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.606 ' O ' ' CE1' ' B' ' 122' ' ' TYR . 5.0 m -71.38 -32.9 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 109.27 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.559 ' N ' HG21 ' A' ' 19' ' ' VAL . 2.9 pt20 -71.99 -3.2 21.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 99.989999999999995 110.308 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' HIS . 17.5 mmmt -69.32 -10.59 58.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.225 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.592 HG22 ' CD1' ' B' ' 122' ' ' TYR . 2.5 t -81.27 -22.38 38.69 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.71 -42.74 2.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.42 1.075 . . . . 99.989999999999995 110.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.531 ' C ' ' CG1' ' A' ' 25' ' ' VAL . 1.3 tp10 -76.76 59.13 1.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 0.761 . . . . 99.989999999999995 110.38 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.883 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 1.6 m -161.92 44.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.3 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.717 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -0.14 109.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 109.259 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 16.8 p30 -60.93 -17.62 52.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.233 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -52.79 64.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.373 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 1.0 OUTLIER -74.34 -29.91 61.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 109.323 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 20' ' ' GLN . 2.1 tm? -66.8 -48.83 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.84 -29.81 69.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 109.302 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.506 ' OG ' ' NH1' ' B' ' 111' ' ' ARG . 1.2 m -53.99 -22.94 11.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.945 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.55 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 2.6 tm? -83.65 -41.97 17.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.07 . . . . 99.989999999999995 109.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.627 ' O ' ' N ' ' A' ' 38' ' ' GLN . 64.3 mt-30 -54.15 -49.15 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 32' ' ' SER . 3.1 pt20 -54.89 -51.4 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.39 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.54 ' CG1' ' HA ' ' A' ' 33' ' ' LEU . 4.9 p -66.0 -47.07 86.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 99.989999999999995 109.295 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -65.01 -30.01 70.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.304 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.627 ' N ' ' O ' ' A' ' 34' ' ' GLN . 9.5 mm-40 -94.6 13.81 22.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.272 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.628 ' OG ' ' CE2' ' A' ' 41' ' ' PHE . 59.9 p -83.29 146.94 28.26 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.897 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -75.27 -42.52 54.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.345 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -40.27 -37.73 0.69 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.375 1.047 . . . . 99.989999999999995 111.045 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -55.7 -42.83 75.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.625 1.203 . . . . 99.989999999999995 110.991 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . -85.81 -36.06 10.77 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.921 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.54 82.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 99.989999999999995 109.228 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG21 ' CD2' ' B' ' 147' ' ' HIS . 68.0 t -75.08 -40.7 44.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.25 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 4.7 tmm_? -60.97 -28.44 69.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 99.989999999999995 110.249 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -33.0 74.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.323 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 64.0 t -68.44 -29.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.295 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -46.45 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.33 -45.78 75.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 m -61.41 -43.46 98.84 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.386 1.054 . . . . 99.989999999999995 110.41 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 48' ' ' VAL . 54.1 t -67.5 -39.56 82.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.359 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 99.989999999999995 111.085 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.456 ' N ' ' OD1' ' B' ' 148' ' ' ASP . 60.5 p . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.998 -0.371 . . . . 99.989999999999995 109.998 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.77 -23.92 15.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.329 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.5 65.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.21 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.9 m -73.39 -39.08 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.236 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.403 ' HG2' ' CD ' ' B' ' 114' ' ' GLU . 8.0 tt0 -58.59 -33.7 70.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.389 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -52.46 -20.31 2.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.364 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.496 ' CB ' HD21 ' A' ' 33' ' ' LEU . . . -59.17 -60.22 4.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.319 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . 0.481 ' O ' ' CD2' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -81.98 -31.01 31.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.362 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 1.6 tt0 -42.8 -27.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 99.989999999999995 110.382 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' B' ' 112' ' ' ALA . 7.3 p -57.27 -34.8 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.289 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' B' ' 113' ' ' LYS . 1.5 mm? -60.65 -20.98 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.385 1.053 . . . . 99.989999999999995 109.239 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -57.75 -38.36 75.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 110.29 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.43 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 18.3 tp10 -83.18 -34.45 25.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' B' ' 122' ' ' TYR . 1.2 mt -66.78 -14.9 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 109.318 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -24.42 65.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 109.951 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 t -95.23 -30.41 14.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 108.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.606 ' CE1' ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -92.04 118.33 68.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.987 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.05 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 99.989999999999995 110.901 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.594 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 3.9 pt-20 -110.33 -178.95 3.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 110.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 60.8 t-20 -69.35 125.15 25.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.383 1.052 . . . . 99.989999999999995 109.328 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 2.5 m-20 -59.64 -23.74 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.301 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.12 -49.8 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 1.181 . . . . 99.989999999999995 109.29 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.417 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.51 -51.32 70.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.296 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -64.44 -28.98 70.04 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.237 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 12.9 tt0 -66.16 -35.45 80.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.392 1.058 . . . . 99.989999999999995 110.196 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.477 HD13 ' CD1' ' B' ' 134' ' ' ILE . 0.0 OUTLIER -60.84 -42.17 97.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 109.277 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.472 ' HD3' ' CD2' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -70.54 -33.33 71.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.309 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -49.3 26.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 110.325 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . 0.477 ' CD1' HD13 ' B' ' 131' ' ' LEU . 2.6 pp -61.67 -18.87 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.365 1.041 . . . . 99.989999999999995 109.333 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.427 ' CD2' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -69.14 -8.19 43.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.253 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' THR . . . . . 0.461 ' O ' ' OG1' ' B' ' 136' ' ' THR . 4.3 p -108.94 84.14 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 110.437 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.604 ' O ' ' HB3' ' B' ' 141' ' ' MET . 0.0 OUTLIER -110.62 175.14 2.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.396 1.06 . . . . 99.989999999999995 110.342 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.6 Cg_endo -74.8 -2.3 12.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.457 1.767 . . . . 99.989999999999995 111.035 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' HIS . . . . . 0.596 ' CD2' HD21 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -102.49 -53.26 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.623 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -77.47 -70.81 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.37 1.044 . . . . 99.989999999999995 110.945 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' MET . . . . . 0.604 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -48.3 -35.2 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.912 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -62.79 -36.1 82.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.358 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' B' ' 143' ' ' LEU . 0.2 OUTLIER -70.4 -35.45 73.46 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.355 1.034 . . . . 99.989999999999995 109.34 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . 0.565 HD22 ' CE1' ' A' ' 42' ' ' PHE . 25.4 mt -59.23 -37.54 77.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.426 ' O ' ' CG2' ' B' ' 149' ' ' VAL . 37.2 tt0 -84.61 -10.63 57.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 110.321 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 84.9 m -95.77 -16.33 21.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.456 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' HIS . . . . . 0.518 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -109.47 -32.31 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.576 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' B' ' 106' ' ' SER . 4.7 t70 -66.47 -14.46 62.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 109.269 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . 0.43 ' O ' ' ND1' ' B' ' 152' ' ' HIS . 71.8 t -60.11 -42.61 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.295 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' VAL . . . . . 0.411 HG22 ' N ' ' B' ' 151' ' ' ALA . 19.1 m -77.73 -34.84 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 109.295 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . 0.411 ' N ' HG22 ' B' ' 150' ' ' VAL . . . -65.06 -35.73 82.09 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.381 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.0 OUTLIER -71.0 -47.45 58.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 99.989999999999995 109.518 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -26.37 64.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 99.989999999999995 110.306 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 1.5 t -58.1 -36.79 58.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.345 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 1.0 OUTLIER -100.71 -6.83 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 111.046 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 1.4 t -89.05 166.33 13.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.071 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -43.07 106.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.352 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.29 -11.48 58.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.307 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.36 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.982 -0.847 . . . . 99.989999999999995 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.95 173.94 8.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 99.989999999999995 110.008 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.53 89.88 5.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -125.18 -25.52 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.327 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.443 ' O ' HG11 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -54.81 -32.82 60.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.278 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.573 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 35.8 tt0 -61.83 -47.34 85.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.291 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -31.52 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.334 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -59.71 -32.03 70.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.271 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.664 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 11.5 m -43.03 -29.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.609 1.193 . . . . 99.989999999999995 109.359 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.419 ' N ' ' C ' ' A' ' 8' ' ' ASP . 4.2 mt-30 -86.38 -40.19 15.66 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.332 1.02 . . . . 99.989999999999995 110.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -73.28 -20.15 60.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.296 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.494 HG21 ' CD1' ' A' ' 37' ' ' LEU . 8.6 tt -65.98 -34.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.258 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.664 ' CD2' ' O ' ' A' ' 9' ' ' VAL . 1.3 mm? -70.41 -21.37 62.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.283 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.471 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 9.3 tt0 -75.07 -42.66 56.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 110.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.499 ' O ' ' CG1' ' A' ' 19' ' ' VAL . 1.1 mt -72.88 -48.47 37.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 109.309 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.501 ' CE ' HD12 ' A' ' 13' ' ' LEU . 15.7 mtp -53.5 -47.09 70.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.973 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 9.6 pt-20 -70.61 -16.17 62.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.346 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.471 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 1.8 m80 -86.86 -35.51 18.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.564 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.56 ' O ' ' CZ ' ' B' ' 122' ' ' TYR . 1.0 OUTLIER -71.44 -36.43 60.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.1 . . . . 99.989999999999995 109.402 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.481 ' N ' HG22 ' A' ' 19' ' ' VAL . 1.3 pp0? -71.05 -3.71 21.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.656 1.223 . . . . 99.989999999999995 110.325 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.49 ' HA ' ' CE ' ' A' ' 21' ' ' LYS . 3.1 mmpt? -60.87 -13.57 16.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 99.989999999999995 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.717 ' CG2' ' CD1' ' B' ' 122' ' ' TYR . 10.7 t -79.77 -20.68 45.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.4 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.95 -40.63 2.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 111.012 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' C ' ' CG2' ' A' ' 25' ' ' VAL . 13.9 mm-40 -80.99 61.03 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.382 0.696 . . . . 99.989999999999995 110.327 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.716 ' O ' ' C ' ' A' ' 26' ' ' ASN . 22.0 t -153.91 51.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.716 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.7 m-80 -3.74 102.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 99.989999999999995 109.33 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -62.25 -22.77 66.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 109.335 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.48 73.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.383 1.052 . . . . 99.989999999999995 109.343 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HE3' ' CB ' ' B' ' 118' ' ' GLU . 5.9 pttm -72.16 -43.82 64.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.167 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 16' ' ' MET . 0.7 OUTLIER -54.85 -36.39 65.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.381 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' HA ' ' CD ' ' A' ' 34' ' ' GLN . . . -73.76 -34.5 64.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.442 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 29.7 m -53.5 -27.27 24.62 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.624 1.202 . . . . 99.989999999999995 109.959 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.566 ' CD2' ' CB ' ' B' ' 112' ' ' ALA . 2.0 tm? -75.95 -41.95 49.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.219 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.576 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 11.6 mt-30 -61.26 -37.24 82.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.355 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 32' ' ' SER . 22.6 mt-30 -60.3 -33.26 72.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.304 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.588 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 3.5 p -90.29 -46.22 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 109.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.538 ' CG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -58.78 -26.34 63.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 109.235 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 4.2 mt-30 -107.07 13.55 27.33 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.626 1.203 . . . . 99.989999999999995 110.335 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -84.66 149.84 25.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 109.931 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -74.9 -32.16 61.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 110.337 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -49.48 -21.21 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.629 1.206 . . . . 99.989999999999995 111.076 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.817 ' CE1' ' CD2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -82.41 -41.75 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 111.027 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.01 -34.78 13.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 111.032 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.18 94.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 99.989999999999995 109.333 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG1' HD12 ' B' ' 143' ' ' LEU . 38.4 t -78.17 -43.83 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.298 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 4.3 tmm_? -57.92 -28.14 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.201 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.66 -38.78 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.341 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.49 -29.97 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.342 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.14 -46.59 70.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -67.77 -45.89 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 110.307 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -59.93 -47.53 85.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 110.343 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.3 t -65.85 -40.61 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.338 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.6 t80 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 111.033 179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.043 -0.355 . . . . 99.989999999999995 110.043 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -12.38 41.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 99.989999999999995 109.211 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.504 ' O ' ' NH1' ' B' ' 111' ' ' ARG . . . -62.58 -39.09 92.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.321 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.491 ' CG2' HD13 ' B' ' 144' ' ' LEU . 2.5 p -86.38 -32.03 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.324 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.456 ' O ' ' HD3' ' B' ' 113' ' ' LYS . 56.9 mt-30 -56.33 -25.62 49.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.226 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.514 ' HD3' ' N ' ' B' ' 112' ' ' ALA . 0.0 OUTLIER -51.65 -18.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.34 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.604 ' O ' ' NZ ' ' B' ' 132' ' ' LYS . . . -66.56 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 99.989999999999995 109.24 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -77.92 -24.33 48.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 109.375 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 11.6 tt0 -46.79 -28.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 110.255 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.427 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 6.0 m -58.61 -34.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.241 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.452 HD22 ' NZ ' ' B' ' 132' ' ' LYS . 0.8 OUTLIER -60.86 -22.13 63.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.348 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.2 OUTLIER -61.12 -38.06 85.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.379 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.451 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -82.43 -36.48 26.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.298 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.516 ' O ' ' O ' ' B' ' 122' ' ' TYR . 1.0 OUTLIER -63.2 -13.34 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.65 1.219 . . . . 99.989999999999995 109.379 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 4.3 m -60.52 -28.36 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.089 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.34 -37.9 14.55 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 108.229 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.717 ' CD1' ' CG2' ' A' ' 22' ' ' THR . 0.4 OUTLIER -83.71 130.45 55.59 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 110.947 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 94.34 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 99.989999999999995 111.056 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.683 ' HB3' ' CE2' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -99.34 -175.97 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.321 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.454 ' N ' ' HG2' ' B' ' 124' ' ' GLU . 64.6 t-20 -97.1 118.97 34.7 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.206 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' B' ' 130' ' ' GLU . 32.2 m120 -49.96 -26.83 4.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.232 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -75.22 -50.74 15.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 99.989999999999995 109.289 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.449 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . . . -61.2 -45.58 93.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 99.989999999999995 109.302 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.416 ' HB3' ' CG ' ' B' ' 124' ' ' GLU . 3.8 ptmt -71.46 -25.63 62.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.299 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' B' ' 126' ' ' ASN . 2.6 mt-10 -61.14 -36.91 81.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 110.195 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.492 ' O ' HG13 ' B' ' 134' ' ' ILE . 0.1 OUTLIER -60.06 -44.04 95.0 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.237 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.604 ' NZ ' ' O ' ' B' ' 112' ' ' ALA . 0.0 OUTLIER -75.0 -40.25 60.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 109.332 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -65.39 -40.02 92.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.276 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 131' ' ' LEU . 2.3 pp -75.38 -16.28 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.395 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.502 ' CD1' ' CD2' ' B' ' 140' ' ' PHE . 0.2 OUTLIER -67.69 -14.44 62.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.198 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' THR . . . . . 0.489 ' O ' ' OG1' ' B' ' 136' ' ' THR . 2.9 p -103.51 83.42 2.16 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.376 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.557 ' O ' ' HB3' ' B' ' 141' ' ' MET . 0.0 OUTLIER -113.39 176.18 1.58 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 110.296 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.0 Cg_endo -75.02 -1.82 11.73 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.477 1.777 . . . . 99.989999999999995 110.972 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -54.04 2.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 109.627 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' PHE . . . . . 0.817 ' CD2' ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -76.81 -70.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.996 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' MET . . . . . 0.557 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 4.6 tpt -49.79 -26.41 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 111.069 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -76.65 -33.76 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.616 1.198 . . . . 99.989999999999995 109.348 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.477 HD12 ' CG1' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -69.89 -35.38 74.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.343 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . 0.734 ' CD2' ' CE1' ' A' ' 42' ' ' PHE . 11.9 mt -69.0 -37.43 78.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.267 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -72.17 -8.17 53.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.309 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 72.4 m -99.15 -17.44 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 110.494 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -110.24 -32.18 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.065 . . . . 99.989999999999995 109.582 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.466 ' O ' ' ND1' ' B' ' 152' ' ' HIS . 3.6 p-10 -65.12 -15.01 61.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.13 -39.33 83.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.317 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' B' ' 154' ' ' VAL . 99.6 t -62.94 -34.24 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.373 1.046 . . . . 99.989999999999995 109.291 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.54 -36.94 64.84 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.217 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . 0.612 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 17.8 m80 -70.97 -48.67 52.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.528 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.35 -25.36 65.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 110.283 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' B' ' 150' ' ' VAL . 1.0 OUTLIER -58.11 -36.07 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.203 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 1.1 p90 -102.34 -4.91 24.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 99.989999999999995 110.995 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.85 165.45 12.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 99.989999999999995 109.953 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -45.38 106.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.346 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -82.54 -11.51 58.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.285 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.289 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.043 -0.823 . . . . 99.989999999999995 111.043 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.17 -178.97 4.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.598 0.822 . . . . 99.989999999999995 110.043 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 tp -84.67 90.1 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 109.328 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.7 OUTLIER -124.99 16.74 8.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.335 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.414 ' CD1' ' C ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -53.4 -34.4 57.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.269 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 27.6 tt0 -62.78 -49.22 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 110.234 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -74.42 -34.04 63.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 99.989999999999995 110.337 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' ILE . 1.1 m-20 -64.97 -33.34 75.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.286 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -44.1 -32.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.28 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -38.31 11.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 110.243 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -25.78 64.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.361 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 8' ' ' ASP . 4.7 tt -59.1 -40.28 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' CD1' ' HE3' ' A' ' 16' ' ' MET . 2.8 mm? -57.48 -22.65 45.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.227 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 17.0 tt0 -88.43 -38.74 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.338 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD2' ' HG ' ' B' ' 131' ' ' LEU . 1.4 mm? -64.24 -53.46 48.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.282 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.571 ' CE ' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -65.02 -34.6 78.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 111.001 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 3.1 tt0 -69.91 -18.18 63.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 4.6 m80 -84.42 -30.24 25.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.609 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.667 ' O ' ' CE1' ' B' ' 122' ' ' TYR . 0.9 OUTLIER -78.34 -37.27 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.238 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER -70.83 -4.69 25.47 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 110.271 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -70.16 -7.15 39.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.357 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.652 ' CB ' ' CE2' ' B' ' 122' ' ' TYR . 1.8 t -83.74 -20.11 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.38 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.47 -45.42 2.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.999 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' C ' ' CG2' ' A' ' 25' ' ' VAL . 4.3 tp10 -80.12 61.38 3.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.414 0.714 . . . . 99.989999999999995 110.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.715 ' O ' ' C ' ' A' ' 26' ' ' ASN . 2.5 t -154.25 46.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.077 . . . . 99.989999999999995 109.293 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.715 ' C ' ' O ' ' A' ' 25' ' ' VAL . 1.8 m-80 -2.69 104.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 109.334 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 8.8 p-10 -61.35 -13.99 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.23 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.74 30.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HG3' ' CG2' ' B' ' 115' ' ' VAL . 0.0 OUTLIER -76.57 -40.95 48.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.142 . . . . 99.989999999999995 109.311 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.549 ' CD2' ' HB2' ' A' ' 16' ' ' MET . 0.5 OUTLIER -57.72 -45.25 86.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.269 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 27' ' ' ASN . . . -72.39 -33.97 67.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB3' ' NE ' ' B' ' 111' ' ' ARG . 28.4 m -53.65 -29.59 39.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 99.989999999999995 109.922 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.585 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 1.6 tm? -65.29 -30.69 71.57 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.162 . . . . 99.989999999999995 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.515 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 22.5 mt-30 -68.25 -46.05 71.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.284 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 32' ' ' SER . 7.8 mt-30 -54.8 -27.73 43.94 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 110.393 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 33' ' ' LEU . 7.5 p -93.72 -47.15 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.256 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.585 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.99 -42.68 99.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.257 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.506 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -88.67 13.19 12.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.259 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.633 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -75.47 150.02 38.34 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.97 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.71 -32.68 62.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.273 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.731 ' CD1' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -49.84 -44.22 49.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.378 1.049 . . . . 99.989999999999995 110.999 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.827 ' CZ ' ' CE1' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -54.62 -46.55 73.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.975 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.92 -35.15 31.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 110.956 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.7 86.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.756 . . . . 99.989999999999995 109.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' B' ' 143' ' ' LEU . 2.6 t -76.88 -42.11 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.259 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 5.9 tpt180 -56.71 -29.48 62.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 110.195 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -41.87 95.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.266 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.72 -50.32 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -51.62 -46.74 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 111.033 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.28 -39.46 82.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.234 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 m -63.92 -48.44 76.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 110.412 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 p -67.04 -39.17 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.214 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.4 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 111.048 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.042 -0.355 . . . . 99.989999999999995 110.042 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.34 -38.02 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.312 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.438 ' O ' ' NH1' ' B' ' 111' ' ' ARG . . . -68.61 -43.74 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.231 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.506 ' CG1' HD12 ' B' ' 144' ' ' LEU . 97.9 t -70.28 -33.26 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.23 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -57.19 -32.95 66.99 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.234 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.527 ' C ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -51.75 -20.62 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.609 1.193 . . . . 99.989999999999995 110.339 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.496 ' N ' ' HD3' ' B' ' 111' ' ' ARG . . . -60.18 -62.37 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.609 1.193 . . . . 99.989999999999995 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -26.18 36.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 99.989999999999995 109.281 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 8.4 tt0 -44.23 -27.6 0.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.288 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.496 ' CG2' HD22 ' A' ' 30' ' ' LEU . 5.9 p -57.4 -34.18 45.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.191 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -58.14 -23.1 53.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.268 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -64.99 -35.46 81.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.261 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 0.1 OUTLIER -81.57 -34.4 31.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.272 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.483 HD12 ' CG1' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -69.07 -14.89 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.414 1.071 . . . . 99.989999999999995 109.238 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.4 t -60.07 -27.22 66.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.988 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.35 -37.6 12.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 108.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.788 ' CE1' ' HB3' ' B' ' 124' ' ' GLU . 0.5 OUTLIER -83.25 121.06 76.77 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.977 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 96.54 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.405 1.74 . . . . 99.989999999999995 111.025 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.788 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 2.4 pt-20 -110.8 -172.45 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -85.29 137.28 33.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.489 ' HA ' ' CD ' ' B' ' 129' ' ' LYS . 15.7 m-20 -67.96 -21.53 65.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.327 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -48.35 35.35 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.227 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.488 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . . . -59.59 -55.03 39.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.323 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 8.4 ptmt -60.09 -27.48 67.03 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.546 ' O ' ' CG2' ' B' ' 134' ' ' ILE . 0.9 OUTLIER -61.99 -31.37 71.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 99.989999999999995 110.222 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' B' ' 135' ' ' LEU . 0.2 OUTLIER -68.04 -46.69 70.44 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 109.211 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.431 ' NZ ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -70.45 -32.35 69.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.169 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -49.53 17.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.288 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . 0.546 ' CG2' ' O ' ' B' ' 130' ' ' GLU . 2.3 pp -63.32 -19.02 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.593 1.183 . . . . 99.989999999999995 109.245 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' B' ' 131' ' ' LEU . 0.0 OUTLIER -68.79 -11.26 60.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 109.311 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' THR . . . . . 0.447 ' HA ' ' HG3' ' B' ' 141' ' ' MET . 7.2 p -106.17 84.49 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.332 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.408 ' CB ' ' CE1' ' B' ' 139' ' ' HIS . 0.0 OUTLIER -115.72 172.3 3.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.273 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.531 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.2 Cg_endo -74.92 -1.53 11.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.536 1.808 . . . . 99.989999999999995 111.054 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' HIS . . . . . 0.415 ' NE2' ' HD2' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -102.03 -56.39 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.546 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' PHE . . . . . 0.827 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -77.13 -68.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 111.082 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' MET . . . . . 0.452 ' HE2' ' O ' ' B' ' 141' ' ' MET . 0.0 OUTLIER -49.67 -44.13 47.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.367 1.042 . . . . 99.989999999999995 111.01 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -52.24 -37.12 54.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 99.989999999999995 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.487 ' C ' ' CD1' ' B' ' 143' ' ' LEU . 0.2 OUTLIER -61.27 -34.57 75.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.296 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . 0.687 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 23.8 mt -60.81 -42.45 97.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.345 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -72.68 -8.98 57.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 110.338 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 22.4 m -105.13 -17.47 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 110.39 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 1.6 t-80 -105.29 -35.62 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.61 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.509 ' O ' ' CE1' ' B' ' 152' ' ' HIS . 3.4 p-10 -64.93 -18.84 65.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 109.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.67 -36.55 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 99.989999999999995 109.408 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' B' ' 154' ' ' VAL . 61.6 t -63.01 -33.15 59.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.51 -41.0 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.28 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . 0.698 ' O ' ' CD1' ' B' ' 155' ' ' TYR . 3.9 m80 -74.33 -31.6 62.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.594 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' B' ' 150' ' ' VAL . 0.0 OUTLIER -77.2 -26.65 53.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.253 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' B' ' 150' ' ' VAL . 0.4 OUTLIER -48.73 -36.21 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.269 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' TYR . . . . . 0.713 ' CD2' ' O ' ' B' ' 155' ' ' TYR . 7.4 p90 -108.02 35.0 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' SER . . . . . 0.458 ' C ' ' O ' ' B' ' 155' ' ' TYR . 62.8 m -35.14 118.92 0.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 110.041 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -47.42 113.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.278 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.77 -11.35 3.1 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 109.233 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 110.97 -0.852 . . . . 99.989999999999995 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -100.87 -175.23 2.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 99.989999999999995 109.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 pp -54.31 152.22 6.57 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.347 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -125.22 17.69 8.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 109.304 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.602 HD23 ' CE1' ' B' ' 139' ' ' HIS . 0.2 OUTLIER -53.84 -31.73 50.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.069 . . . . 99.989999999999995 109.233 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 38.6 tt0 -67.25 -49.53 64.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 99.989999999999995 110.271 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 4' ' ' ASN . 19.5 ptt85 -76.41 -35.1 58.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -59.97 -28.73 67.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.078 . . . . 99.989999999999995 109.295 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -44.52 -30.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.374 1.046 . . . . 99.989999999999995 109.29 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -38.87 12.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.391 1.057 . . . . 99.989999999999995 110.252 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -26.46 64.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 110.364 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 16' ' ' MET . 5.0 tt -60.78 -33.64 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.249 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 9' ' ' VAL . 3.9 mm? -55.49 -20.82 13.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.339 1.024 . . . . 99.989999999999995 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' CG ' ' CE1' ' A' ' 18' ' ' HIS . 17.7 tt0 -87.87 -40.38 14.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.377 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 HD12 ' CB ' ' B' ' 128' ' ' ALA . 2.2 mm? -54.97 -45.99 75.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.583 ' CE ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -64.01 -47.7 79.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.039 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 15.4 tt0 -59.34 -16.05 20.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.257 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.445 ' CE1' ' CG ' ' A' ' 14' ' ' GLU . 1.7 m80 -85.53 -33.72 21.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 109.656 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.616 ' O ' ' CE1' ' B' ' 122' ' ' TYR . 0.9 OUTLIER -78.16 -34.1 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.302 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 2.0 pp0? -70.14 -3.04 14.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.352 1.032 . . . . 99.989999999999995 110.351 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' HG2' ' NE2' ' A' ' 20' ' ' GLN . 9.7 mtpp -73.24 -8.7 56.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.245 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.574 HG23 ' CD2' ' B' ' 122' ' ' TYR . 0.8 OUTLIER -84.25 -24.42 29.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.383 1.052 . . . . 99.989999999999995 110.381 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' HG21 ' A' ' 22' ' ' THR . . . 89.63 -42.52 2.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.987 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 61.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 99.989999999999995 110.356 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.712 ' O ' ' C ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -171.13 59.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.247 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.712 ' C ' ' O ' ' A' ' 25' ' ' VAL . 4.2 m-80 -6.23 115.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.225 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.11 -17.2 61.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.313 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.34 -52.21 65.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.37 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 6.5 ptmt -68.2 -41.26 81.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.581 ' CD2' ' HB3' ' A' ' 16' ' ' MET . 2.9 tm? -54.99 -34.08 63.11 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.178 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.72 -29.68 63.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.61 1.193 . . . . 99.989999999999995 109.314 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.485 ' OG ' ' NH1' ' B' ' 111' ' ' ARG . 14.8 m -54.77 -46.33 74.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.026 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.583 HD12 ' CE ' ' A' ' 16' ' ' MET . 0.2 OUTLIER -60.44 -31.02 70.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.367 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' GLN . 18.3 mt-30 -69.3 -37.79 77.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 110.282 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.472 ' O ' ' OG ' ' A' ' 39' ' ' SER . 8.6 mt-30 -63.92 -27.01 68.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 33' ' ' LEU . 4.1 p -91.65 -40.05 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.286 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' CD2' HD21 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -73.66 -32.22 63.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.249 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' GLN . 28.6 mt-30 -86.46 14.06 7.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 35' ' ' GLN . 39.5 m -94.12 139.51 30.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 110.023 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 42' ' ' PHE . 24.8 pt-20 -74.63 -31.85 62.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.397 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' B' ' 147' ' ' HIS . 0.3 OUTLIER -46.06 -21.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 111.024 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.765 ' CE1' ' CE2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -70.77 -42.63 70.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.387 1.055 . . . . 99.989999999999995 110.906 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.15 -14.4 66.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.989 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.62 70.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 99.989999999999995 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.494 ' HB ' ' CD1' ' B' ' 143' ' ' LEU . 4.7 t -78.71 -39.12 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.399 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' NH2' ' CD ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -56.12 -31.87 63.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.404 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.74 -39.24 90.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.249 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.8 -43.13 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.426 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 2.8 m-85 -51.34 -45.51 62.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 111.017 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.43 ' CD ' ' NH2' ' A' ' 46' ' ' ARG . 37.5 tt0 -67.79 -45.36 75.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.626 1.204 . . . . 99.989999999999995 110.303 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -60.28 -47.82 84.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 110.397 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.18 -44.17 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.269 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 89.7 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.563 1.165 . . . . 99.989999999999995 110.935 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.923 -0.399 . . . . 99.989999999999995 109.923 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -87.06 -28.65 22.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 99.989999999999995 109.299 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.72 -38.92 80.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.293 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.506 ' HB ' ' CD1' ' B' ' 144' ' ' LEU . 18.2 m -76.86 -38.97 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 109.274 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 114' ' ' GLU . 5.9 tt0 -59.18 -34.52 72.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 99.989999999999995 110.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.485 ' NH1' ' OG ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -53.07 -19.21 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.32 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.471 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . . . -56.92 -61.46 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 109.236 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -83.23 -29.88 28.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.284 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 5.0 tt0 -45.9 -28.72 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.288 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 29' ' ' LYS . 12.0 p -60.08 -33.88 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.353 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' B' ' 113' ' ' LYS . 2.1 mm? -59.39 -21.21 59.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 109.316 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 1.0 OUTLIER -58.77 -39.33 80.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.291 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.44 ' HG2' ' ND2' ' A' ' 26' ' ' ASN . 3.0 tp10 -81.14 -35.69 31.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 110.286 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.516 ' CD1' HG23 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -67.76 -15.61 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 109.426 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 19.1 m -60.96 -24.37 66.03 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.054 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 6.0 t -93.87 -34.67 13.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.183 . . . . 99.989999999999995 108.365 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.622 ' CE1' ' HB3' ' B' ' 124' ' ' GLU . 0.1 OUTLIER -86.76 118.9 70.85 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 111.019 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 94.06 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.517 1.799 . . . . 99.989999999999995 110.994 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.622 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -106.4 -173.6 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.331 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' B' ' 124' ' ' GLU . 0.2 OUTLIER -77.04 118.07 19.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.199 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.55 ' HA ' ' HG2' ' B' ' 129' ' ' LYS . 2.8 p-10 -57.94 -22.68 50.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.303 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' B' ' 130' ' ' GLU . 0.5 OUTLIER -67.86 -48.04 67.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 15' ' ' LEU . . . -74.85 -33.29 62.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.413 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.55 ' HG2' ' HA ' ' B' ' 126' ' ' ASN . 0.5 OUTLIER -71.25 -46.85 60.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 109.286 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' B' ' 126' ' ' ASN . 10.4 pt-20 -61.28 -27.31 68.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.523 ' O ' HG13 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -58.89 -44.8 91.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 109.346 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.508 ' HD3' ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -72.66 -42.18 64.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.257 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -48.63 77.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 110.221 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 131' ' ' LEU . 2.7 pp -67.9 -22.68 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.259 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -69.3 -11.05 60.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 109.332 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' THR . . . . . 0.427 ' HA ' ' HG3' ' B' ' 141' ' ' MET . 17.1 p -108.75 83.92 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.464 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.559 ' HB2' ' CD2' ' B' ' 139' ' ' HIS . 0.0 OUTLIER -113.81 173.95 2.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.249 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.1 Cg_endo -75.06 -3.13 13.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.569 1.826 . . . . 99.989999999999995 110.951 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' HIS . . . . . 0.602 ' CE1' HD23 ' A' ' 5' ' ' LEU . 21.4 p80 -101.5 -55.94 2.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.611 1.195 . . . . 99.989999999999995 109.582 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' PHE . . . . . 0.765 ' CE2' ' CE1' ' A' ' 42' ' ' PHE . 5.6 t80 -74.89 -67.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.623 1.202 . . . . 99.989999999999995 110.986 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' MET . . . . . 0.427 ' HG3' ' HA ' ' B' ' 136' ' ' THR . 0.0 OUTLIER -50.59 -27.2 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 110.981 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -77.72 -34.01 52.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.268 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.494 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -67.31 -46.46 73.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 99.989999999999995 109.325 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . 0.506 ' CD1' ' HB ' ' B' ' 109' ' ' VAL . 3.1 pp -64.31 -35.36 80.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.322 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.485 ' N ' HD12 ' B' ' 144' ' ' LEU . 37.6 tt0 -71.38 -16.09 62.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 18.2 m -102.49 -6.61 22.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.253 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 1.8 t-80 -111.02 -25.28 9.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.643 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -14.1 60.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.217 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 26.2 t -60.19 -47.3 92.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.301 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' B' ' 154' ' ' VAL . 1.5 p -78.9 -40.97 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.409 1.068 . . . . 99.989999999999995 109.205 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.19 -41.29 62.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 99.989999999999995 109.28 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . 0.668 ' O ' ' CD1' ' B' ' 155' ' ' TYR . 0.0 OUTLIER -74.57 -31.26 62.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 99.989999999999995 109.652 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 150' ' ' VAL . 0.1 OUTLIER -77.13 -24.87 51.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 110.336 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' B' ' 150' ' ' VAL . 0.3 OUTLIER -48.22 -32.56 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 99.989999999999995 109.29 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' TYR . . . . . 0.685 ' CD2' ' O ' ' B' ' 155' ' ' TYR . 9.2 p90 -114.41 35.13 4.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 111.002 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' SER . . . . . 0.439 ' C ' ' O ' ' B' ' 155' ' ' TYR . 17.0 p -36.21 117.11 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 109.988 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -44.54 113.01 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.28 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -58.78 -11.95 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.282 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 109.319 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.021 -0.832 . . . . 99.989999999999995 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 4' ' ' ASN . 17.2 m -92.4 -177.4 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 0.734 . . . . 99.989999999999995 109.921 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.95 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.384 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 2' ' ' SER . 9.5 p30 -128.12 4.69 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.306 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -55.17 -32.8 62.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.287 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -63.07 -48.54 78.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.273 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -75.2 -38.23 60.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 110.321 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -72.9 -22.21 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.291 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.522 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -49.39 -28.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.377 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -93.92 -44.43 8.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.259 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -20.04 65.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.222 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 8' ' ' ASP . 0.9 OUTLIER -65.32 -36.32 77.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.298 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.583 ' CD1' ' HG2' ' A' ' 34' ' ' GLN . 2.2 mm? -53.59 -21.29 6.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.313 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 23.9 tt0 -90.17 -30.8 17.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.236 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' B' ' 131' ' ' LEU . 1.5 mm? -66.81 -55.49 14.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.348 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.557 ' CE ' ' HA ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -68.09 -33.05 73.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 111.022 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 1.7 tt0 -73.7 -17.82 61.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.274 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 2.4 m80 -84.11 -33.34 24.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 109.679 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.605 ' O ' ' OH ' ' B' ' 122' ' ' TYR . 16.3 m -77.45 -35.72 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.267 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.538 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 1.9 pp0? -70.41 -4.06 20.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 110.355 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.8 OUTLIER -73.55 -1.05 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.327 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.67 ' CG2' ' CD2' ' B' ' 122' ' ' TYR . 4.4 t -78.77 -15.38 58.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 110.449 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.96 -45.25 2.31 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 110.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.505 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 24.1 mm-40 -84.81 62.05 7.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 0.763 . . . . 99.989999999999995 110.352 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' B' ' 122' ' ' TYR . 47.9 t -156.69 60.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.323 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.648 ' C ' ' O ' ' A' ' 25' ' ' VAL . 3.0 m120 -16.37 101.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 8.2 t-20 -61.53 -18.7 60.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.222 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.73 70.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.271 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -72.8 -47.25 48.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.596 1.185 . . . . 99.989999999999995 109.245 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.4 tp -55.44 -48.41 74.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.375 1.047 . . . . 99.989999999999995 109.247 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' ASN . . . -56.52 -33.98 66.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 109.299 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' ' NH1' ' B' ' 111' ' ' ARG . 3.2 m -52.99 -27.78 20.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.053 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.607 ' CD2' ' N ' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -71.58 -24.91 61.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 109.347 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.607 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 39.7 mt-30 -72.12 -35.67 69.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 110.377 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 32' ' ' SER . 20.8 mm-40 -62.94 -32.05 73.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.522 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 7.7 p -89.95 -38.9 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' B' ' 135' ' ' LEU . 7.7 mt -70.01 -38.47 75.95 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.285 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' GLN . 3.8 pt20 -91.78 4.23 53.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 110.337 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.697 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -63.32 142.43 58.39 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.903 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -76.67 -38.96 53.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.374 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.711 ' CD2' ' N ' ' A' ' 42' ' ' PHE . 1.4 p90 -44.68 -34.52 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.928 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.8 ' CZ ' ' CE2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -53.48 -34.54 58.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.186 . . . . 99.989999999999995 110.97 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.421 ' HA2' ' NH1' ' A' ' 46' ' ' ARG . . . -87.45 -24.7 35.5 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.11 -44.92 67.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 99.989999999999995 109.275 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.442 ' CB ' HD12 ' B' ' 143' ' ' LEU . 10.7 t -76.21 -41.55 37.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 109.339 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' NH1' ' HA2' ' A' ' 43' ' ' GLY . 1.1 tmm_? -56.19 -30.39 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 99.989999999999995 110.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -40.21 95.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.48 -42.84 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.291 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.477 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 12.5 t80 -53.62 -46.71 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.603 1.189 . . . . 99.989999999999995 111.05 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.67 -46.73 71.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.207 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.3 m -61.0 -48.27 82.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 99.989999999999995 110.396 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.02 -43.41 92.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.343 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.477 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 48.9 t80 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.941 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.0 -0.37 . . . . 99.989999999999995 110.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.85 -14.84 17.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.365 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.487 ' O ' ' CD ' ' B' ' 111' ' ' ARG . . . -68.95 -45.48 70.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.308 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' B' ' 144' ' ' LEU . 10.1 m -63.49 -30.79 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 109.281 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' B' ' 114' ' ' GLU . 60.8 mt-30 -57.15 -25.85 59.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.261 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.497 ' HD2' ' N ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -47.78 -27.99 2.3 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.621 1.2 . . . . 99.989999999999995 110.329 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.461 ' CB ' HG12 ' A' ' 36' ' ' VAL . . . -61.13 -59.34 5.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.108 . . . . 99.989999999999995 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -23.7 48.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 23.4 tt0 -49.09 -28.07 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.347 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' B' ' 112' ' ' ALA . 7.5 p -57.7 -33.12 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.428 HD11 ' N ' ' B' ' 116' ' ' LEU . 0.1 OUTLIER -58.67 -22.89 58.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.312 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.581 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.1 OUTLIER -61.29 -38.14 85.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.332 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 1.0 OUTLIER -82.52 -41.22 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.253 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.512 ' O ' ' O ' ' B' ' 122' ' ' TYR . 1.8 mp -61.19 -14.42 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -23.33 58.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 109.976 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 3.2 t -95.25 -30.82 13.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 108.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.866 ' CE1' ' HB3' ' B' ' 124' ' ' GLU . 0.1 OUTLIER -90.47 132.39 35.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 111.013 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . 0.504 ' HD2' ' HD2' ' B' ' 122' ' ' TYR . 18.3 Cg_endo -75.1 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.447 1.762 . . . . 99.989999999999995 110.965 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.866 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 0.3 OUTLIER -101.01 -173.26 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 110.312 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.412 ' C ' ' OE1' ' B' ' 124' ' ' GLU . 30.4 t-20 -114.76 127.79 55.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 109.32 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 28.4 t-20 -55.85 -21.65 21.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.167 . . . . 99.989999999999995 109.348 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.67 -54.16 50.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.231 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.478 ' CB ' HG13 ' A' ' 19' ' ' VAL . . . -79.28 -41.4 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.463 ' NZ ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -58.76 -42.13 88.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.231 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.561 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 4.4 tp10 -58.86 -26.33 64.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.343 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.494 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.4 -41.22 69.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.191 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.522 ' CG ' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -71.34 -39.26 71.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.615 1.197 . . . . 99.989999999999995 109.27 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -49.73 58.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' B' ' 130' ' ' GLU . 2.7 pp -60.53 -21.72 23.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.3 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.501 ' CD2' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -70.1 -7.85 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.291 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' THR . . . . . 0.429 ' O ' ' OG1' ' B' ' 136' ' ' THR . 7.9 p -112.51 83.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 110.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.426 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -114.81 173.68 2.77 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.396 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.5 Cg_endo -75.04 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 99.989999999999995 111.104 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' HIS . . . . . 0.418 ' CE1' ' CB ' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.52 -56.05 2.38 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 109.576 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' PHE . . . . . 0.8 ' CE2' ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -78.05 -70.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.912 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' MET . . . . . 0.472 ' HA ' ' CD1' ' B' ' 144' ' ' LEU . 0.0 OUTLIER -49.22 -39.75 31.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.98 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -53.53 -43.66 68.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 109.279 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.442 HD12 ' CB ' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -60.76 -34.05 73.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.342 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . 0.581 HD21 ' CE1' ' A' ' 42' ' ' PHE . 50.2 mt -59.35 -40.03 85.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -83.41 -8.88 59.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.649 1.218 . . . . 99.989999999999995 110.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 56.8 m -95.09 -18.22 21.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 110.427 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' HIS . . . . . 0.451 ' O ' ' CG2' ' B' ' 150' ' ' VAL . 0.3 OUTLIER -109.48 -32.73 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.639 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 148' ' ' ASP . 7.4 t0 -65.44 -13.83 59.61 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . 0.449 ' O ' ' ND1' ' B' ' 152' ' ' HIS . 20.5 t -59.69 -42.53 88.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.312 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' B' ' 154' ' ' VAL . 12.6 m -77.27 -35.08 21.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.8 81.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.317 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . 0.63 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.0 OUTLIER -68.9 -49.13 60.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 99.989999999999995 109.568 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' B' ' 152' ' ' HIS . 17.3 tt0 -71.4 -25.6 62.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.265 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' B' ' 150' ' ' VAL . 2.1 t -58.19 -37.12 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.27 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' TYR . . . . . 0.63 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 0.9 OUTLIER -99.0 -6.05 29.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 111.011 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.56 165.89 12.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 109.988 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -44.36 107.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 109.293 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . 0.455 ' OE2' ' N ' ' B' ' 159' ' ' ALA . 0.0 OUTLIER -82.61 -11.3 58.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 99.989999999999995 110.249 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' ALA . . . . . 0.455 ' N ' ' OE2' ' B' ' 158' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 109.316 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.0 -0.84 . . . . 99.989999999999995 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 p -99.96 119.68 38.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.746 . . . . 99.989999999999995 109.989 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 6' ' ' GLU . 0.4 OUTLIER -59.21 107.72 0.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.303 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -66.12 -34.59 78.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 109.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -73.6 -49.6 25.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.322 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.433 ' HB3' ' CB ' ' A' ' 3' ' ' LEU . 20.7 tt0 -60.52 -38.14 83.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.328 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -71.8 -41.1 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.076 . . . . 99.989999999999995 110.261 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' ILE . 22.0 m-20 -72.16 -57.28 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.289 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.569 HG22 ' CZ ' ' B' ' 140' ' ' PHE . 1.0 OUTLIER -43.49 -26.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 99.989999999999995 109.447 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.446 ' N ' ' C ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -91.84 -43.17 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 110.334 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -18.82 63.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.06 . . . . 99.989999999999995 110.403 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.509 HG21 ' O ' ' A' ' 9' ' ' VAL . 4.6 tt -66.05 -33.68 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 99.989999999999995 109.36 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 9' ' ' VAL . 3.8 mm? -55.79 -21.14 17.78 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.373 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 36.9 tt0 -86.45 -31.5 21.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.654 1.221 . . . . 99.989999999999995 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.74 -52.32 15.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.381 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.483 ' HE3' ' CD1' ' A' ' 13' ' ' LEU . 2.1 ptp -66.6 -34.58 78.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 111.081 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 3.7 tt0 -72.76 -14.97 61.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 110.32 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.7 m80 -87.09 -34.95 18.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.587 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' B' ' 128' ' ' ALA . 0.9 OUTLIER -70.94 -37.09 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.315 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.617 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -64.72 -4.16 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.275 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HG3' ' HA ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -77.86 7.19 6.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.406 1.066 . . . . 99.989999999999995 109.26 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.616 HG23 ' CD1' ' B' ' 122' ' ' TYR . 14.7 t -96.58 -24.91 15.81 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.622 1.201 . . . . 99.989999999999995 110.323 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.02 -47.57 2.94 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 99.989999999999995 110.965 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' HG2' ' CG2' ' A' ' 22' ' ' THR . 2.2 pm0 -72.97 62.74 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.397 0.704 . . . . 99.989999999999995 110.285 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.721 ' O ' ' C ' ' A' ' 26' ' ' ASN . 11.2 p -172.86 52.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.331 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.721 ' C ' ' O ' ' A' ' 25' ' ' VAL . 1.4 m-80 -0.86 104.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.276 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -62.54 -17.96 61.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.381 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.19 70.59 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 109.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB2' ' CZ ' ' B' ' 111' ' ' ARG . 5.9 ptpp? -72.44 -39.23 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.277 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CD2' ' SD ' ' A' ' 16' ' ' MET . 1.1 tm? -55.18 -35.84 65.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.233 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLN . . . -71.21 -39.29 71.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.516 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -52.38 -22.68 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.979 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.543 ' CD2' ' HD3' ' B' ' 132' ' ' LYS . 35.1 tp -79.93 -27.71 39.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.41 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.472 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 15.0 mt-30 -75.22 -46.96 30.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 99.989999999999995 110.332 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 32' ' ' SER . 1.9 pp0? -58.79 -23.53 60.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.547 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 3.6 p -91.97 -37.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.244 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 12' ' ' ILE . 3.6 mp -76.19 -39.45 54.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.261 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 34' ' ' GLN . 13.1 mt-30 -85.18 4.67 33.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.34 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.688 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -62.05 143.28 56.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.997 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 41' ' ' PHE . 17.0 pt-20 -74.11 -46.57 41.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.688 ' CE1' ' CB ' ' A' ' 39' ' ' SER . 2.3 p90 -42.49 -36.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 111.039 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.846 ' CZ ' ' CE2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -53.81 -39.39 65.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 111.052 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 46' ' ' ARG . . . -86.15 -29.47 25.28 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 111.051 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.63 -34.71 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 99.989999999999995 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' B' ' 143' ' ' LEU . 21.3 t -77.89 -47.94 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.22 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -55.33 -26.19 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 99.989999999999995 110.271 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.49 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.9 mt-10 -62.75 -44.68 95.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.252 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 76.2 t -68.26 -35.86 72.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.374 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -45.73 72.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 111.047 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.23 -43.2 87.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.357 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -65.34 -43.02 92.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.384 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 48' ' ' VAL . 76.0 t -68.44 -41.0 83.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 99.989999999999995 109.311 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.418 1.074 . . . . 99.989999999999995 111.019 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 98.1 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.993 -0.373 . . . . 99.989999999999995 109.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -98.35 -25.6 14.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.283 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.68 66.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.26 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.497 ' CG1' ' HB3' ' B' ' 144' ' ' LEU . 16.3 m -75.26 -38.93 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.425 ' HA ' ' NZ ' ' B' ' 113' ' ' LYS . 7.1 tt0 -58.27 -34.08 70.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 99.989999999999995 110.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.9 -22.96 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 110.359 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . . . -56.03 -61.23 2.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.203 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -81.16 -32.07 33.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.334 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 8.9 tt0 -44.77 -29.09 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 110.357 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 29' ' ' LYS . 2.7 p -60.28 -33.93 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.263 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' B' ' 113' ' ' LYS . 7.3 mt -60.89 -22.09 63.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 109.337 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -59.97 -38.22 81.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.334 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.431 ' N ' ' OE1' ' B' ' 117' ' ' GLU . 11.7 tp10 -81.84 -23.35 36.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.237 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.476 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -77.97 -13.01 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 99.989999999999995 109.376 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -60.68 -29.99 69.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.998 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.6 t -88.45 -34.92 17.33 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 108.313 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.667 ' CZ ' ' HB3' ' B' ' 124' ' ' GLU . 0.1 OUTLIER -84.03 120.13 74.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 110.883 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 97.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.418 1.746 . . . . 99.989999999999995 111.086 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.667 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 4.2 pt-20 -110.44 -172.18 1.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 99.989999999999995 110.298 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -80.73 132.73 35.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 109.341 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 13.4 m-20 -65.97 -22.5 66.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.283 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.43 -36.65 57.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.346 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.508 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . . . -70.02 -54.54 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.378 1.049 . . . . 99.989999999999995 109.337 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 5.1 ptmt -62.73 -31.65 72.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.288 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 47.3 tt0 -63.68 -36.5 84.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.35 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.542 ' O ' HG13 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -58.27 -41.04 83.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.337 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.543 ' HD3' ' CD2' ' A' ' 33' ' ' LEU . 1.2 mmmt -72.76 -43.6 62.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.367 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -40.96 88.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.248 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 131' ' ' LEU . 2.5 pp -74.75 -18.81 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.239 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -28.31 67.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.266 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' THR . . . . . 0.482 ' O ' ' OG1' ' B' ' 136' ' ' THR . 3.5 p -85.43 83.23 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.661 1.225 . . . . 99.989999999999995 110.389 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.534 ' HB3' ' CE1' ' B' ' 139' ' ' HIS . 0.3 OUTLIER -109.96 169.58 6.24 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.374 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.0 Cg_endo -75.05 0.48 8.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 99.989999999999995 110.939 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.6 -55.76 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.619 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' PHE . . . . . 0.846 ' CE2' ' CZ ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -77.55 -67.75 0.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 110.978 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' MET . . . . . 0.43 ' HE2' ' O ' ' B' ' 141' ' ' MET . 0.0 OUTLIER -50.63 -44.06 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 111.064 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -53.33 -41.55 65.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.383 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' B' ' 143' ' ' LEU . 0.2 OUTLIER -60.83 -34.87 75.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.297 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . 0.583 HD22 ' CE2' ' A' ' 42' ' ' PHE . 38.2 mt -59.8 -43.03 94.66 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.202 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.488 ' O ' ' CG2' ' B' ' 149' ' ' VAL . 1.2 pt20 -78.67 -8.17 58.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.375 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.1 m -104.37 -18.79 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.338 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -105.98 -37.54 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.044 . . . . 99.989999999999995 109.623 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' B' ' 144' ' ' LEU . 13.5 p-10 -65.52 -12.87 56.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.404 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' B' ' 145' ' ' GLN . 43.1 t -62.12 -40.68 88.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 109.309 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' B' ' 154' ' ' VAL . 2.4 m -62.2 -34.93 66.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' B' ' 148' ' ' ASP . . . -61.4 -32.37 72.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.246 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . 0.62 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 64.1 m80 -70.18 -49.18 52.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 109.6 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -29.68 63.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 110.254 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' B' ' 150' ' ' VAL . 6.0 t -54.98 -41.54 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.368 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' TYR . . . . . 0.62 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 0.6 OUTLIER -92.2 -9.96 40.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 111.073 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 1.9 t -91.31 166.68 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 110.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -43.88 107.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.286 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -82.22 -11.78 58.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.292 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.337 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.082 -0.807 . . . . 99.989999999999995 111.082 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.461 ' O ' ' OD1' ' A' ' 4' ' ' ASN . 5.8 t -111.77 175.52 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 99.989999999999995 109.986 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.51 ' CD1' ' HB3' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -67.89 78.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 99.989999999999995 109.305 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 2' ' ' SER . 2.6 p-10 -135.05 -41.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.298 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.543 ' CD1' ' CE2' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -55.66 -34.07 64.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 99.989999999999995 109.281 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.51 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 57.6 tt0 -62.01 -49.63 75.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.336 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -74.95 -37.76 61.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.241 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 12' ' ' ILE . 8.5 m-20 -66.88 -39.67 87.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.299 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 1.2 t -44.01 -28.05 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.379 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -94.73 -40.9 9.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.322 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 7.1 tpt180 -69.81 -19.0 63.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.254 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 8' ' ' ASP . 3.6 tt -68.28 -37.51 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 99.989999999999995 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 9' ' ' VAL . 3.4 mm? -55.47 -20.51 12.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.648 1.218 . . . . 99.989999999999995 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 25.8 tt0 -81.82 -46.48 14.11 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.63 1.207 . . . . 99.989999999999995 110.339 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.49 -47.54 81.63 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.303 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.618 ' CE ' HD23 ' A' ' 33' ' ' LEU . 1.8 mtp -59.34 -45.97 89.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.949 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 1.2 tp10 -64.17 -15.42 59.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 99.989999999999995 110.27 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -87.53 -34.76 18.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 99.989999999999995 109.531 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.574 ' O ' ' CE2' ' B' ' 122' ' ' TYR . 1.0 OUTLIER -74.39 -33.19 32.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 109.292 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.618 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 1.1 pp0? -70.45 -3.02 15.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 99.989999999999995 110.311 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' N ' HE21 ' A' ' 20' ' ' GLN . 42.7 mtpt -76.45 0.72 18.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.363 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.626 HG23 ' CE2' ' B' ' 122' ' ' TYR . 6.3 t -92.38 -24.9 18.74 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.596 1.185 . . . . 99.989999999999995 110.39 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.59 -44.17 3.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' B' ' 122' ' ' TYR . 0.4 OUTLIER -77.91 62.95 2.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.44 0.729 . . . . 99.989999999999995 110.291 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.719 ' O ' ' C ' ' A' ' 26' ' ' ASN . 7.6 p -170.95 56.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.395 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.719 ' C ' ' O ' ' A' ' 25' ' ' VAL . 5.3 m-80 -1.56 102.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -62.62 -30.96 71.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.317 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.27 74.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.343 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' NZ ' HD13 ' B' ' 119' ' ' ILE . 0.1 OUTLIER -70.75 -46.46 62.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.228 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.587 ' CD1' ' HB3' ' A' ' 16' ' ' MET . 1.4 tp -58.29 -31.75 67.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.254 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.06 88.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.245 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.418 ' O ' HG11 ' A' ' 36' ' ' VAL . 49.4 m -53.31 -28.8 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.96 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.647 ' CD1' ' HD2' ' B' ' 132' ' ' LYS . 1.7 tp -69.89 -36.92 75.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.31 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.509 ' HG2' ' CE ' ' A' ' 16' ' ' MET . 30.7 mt-30 -68.23 -38.13 81.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 110.255 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 39' ' ' SER . 39.2 mm-40 -61.1 -29.89 70.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.512 ' CG2' HG21 ' B' ' 109' ' ' VAL . 2.3 p -90.44 -45.37 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.325 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD21 ' CD1' ' A' ' 33' ' ' LEU . 1.9 mp -67.45 -21.95 65.52 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.317 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 27.7 mt-30 -102.4 -2.71 28.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.386 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 40.2 t -66.97 142.13 57.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 99.989999999999995 109.997 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLY . 2.0 mp0 -74.69 -32.34 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -40.46 -30.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 99.989999999999995 110.976 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.796 ' CZ ' ' CE1' ' B' ' 140' ' ' PHE . 0.2 OUTLIER -60.43 -42.25 95.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 99.989999999999995 111.058 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' A' ' 46' ' ' ARG . . . -70.03 -42.19 68.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 111.067 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.64 -35.35 70.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.743 . . . . 99.989999999999995 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.548 ' CG1' ' CD1' ' B' ' 143' ' ' LEU . 24.5 t -76.88 -49.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.424 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 2.7 ppt_? -64.11 -26.44 68.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 110.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -35.65 80.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.381 1.05 . . . . 99.989999999999995 110.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.418 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 75.7 t -67.94 -29.57 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.335 1.022 . . . . 99.989999999999995 109.364 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -66.78 -45.06 79.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 111.022 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.62 -42.02 87.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 99.989999999999995 110.271 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -63.06 -41.49 99.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.405 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 48' ' ' VAL . 70.5 t -74.32 -43.24 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.322 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.398 1.061 . . . . 99.989999999999995 110.983 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.438 ' HB3' ' CB ' ' B' ' 151' ' ' ALA . 8.1 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.04 -0.356 . . . . 99.989999999999995 110.04 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -2.39 28.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.407 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' B' ' 111' ' ' ARG . . . -64.17 -38.53 91.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 109.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.525 ' O ' ' HB1' ' B' ' 112' ' ' ALA . 11.1 p -47.84 -52.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.273 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -58.9 -22.39 59.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' B' ' 108' ' ' ALA . 0.0 OUTLIER -62.19 -22.46 65.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.329 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' B' ' 109' ' ' VAL . . . -53.03 -61.35 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.22 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -74.07 -29.5 61.91 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.324 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.494 ' CB ' ' HA ' ' B' ' 111' ' ' ARG . 35.0 tt0 -46.18 -28.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.353 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 17.0 m -60.91 -33.96 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 109.333 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.504 ' CD2' ' HD3' ' B' ' 132' ' ' LYS . 1.7 mm? -60.26 -21.8 62.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.338 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 9.0 pt-20 -59.66 -40.74 88.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.068 . . . . 99.989999999999995 110.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.94 -29.54 35.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 110.182 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.503 ' HB ' ' HA ' ' B' ' 116' ' ' LEU . 0.5 OUTLIER -65.05 -15.98 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.24 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -24.64 65.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 99.989999999999995 110.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.1 t -95.9 -30.71 13.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 108.208 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.673 ' CZ ' ' HB3' ' B' ' 124' ' ' GLU . 0.1 OUTLIER -93.86 116.79 66.9 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 111.033 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 94.56 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.6 1.842 . . . . 99.989999999999995 111.008 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.673 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -98.3 -174.19 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.322 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.444 ' HB3' ' CB ' ' B' ' 128' ' ' ALA . 54.6 t-20 -79.85 120.63 24.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 109.236 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.563 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 49.6 m-80 -51.09 -30.12 15.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.365 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.04 -40.94 60.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.279 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' B' ' 125' ' ' ASN . . . -65.95 -54.48 25.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.306 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -64.45 -30.25 71.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 8.8 tt0 -61.7 -27.52 68.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.344 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.496 ' HA ' ' CG1' ' B' ' 134' ' ' ILE . 0.0 OUTLIER -70.1 -39.59 75.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.634 1.209 . . . . 99.989999999999995 109.366 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.647 ' HD2' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -71.96 -38.92 69.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.349 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -70.0 -49.71 48.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 110.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' B' ' 130' ' ' GLU . 2.6 pp -60.86 -18.8 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.638 1.211 . . . . 99.989999999999995 109.328 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.495 HD12 ' CD1' ' B' ' 140' ' ' PHE . 0.2 OUTLIER -68.86 -22.11 64.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.394 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' THR . . . . . 0.494 ' O ' ' OG1' ' B' ' 136' ' ' THR . 2.6 p -97.38 84.0 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.378 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.573 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -111.94 -178.23 0.51 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 110.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' B' ' 137' ' ' GLN . 17.9 Cg_endo -75.06 -0.59 10.17 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 99.989999999999995 110.938 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.89 -56.62 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.574 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' PHE . . . . . 0.796 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.73 -74.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 99.989999999999995 110.969 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' MET . . . . . 0.492 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 1.0 OUTLIER -46.5 -34.26 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.983 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -62.92 -43.54 98.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.548 ' CD1' ' CG1' ' A' ' 45' ' ' VAL . 1.5 mm? -67.14 -35.63 80.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.277 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . 0.501 ' HB3' ' CG2' ' B' ' 109' ' ' VAL . 9.9 mt -68.47 -36.71 79.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.291 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -91.63 -7.04 51.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.355 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' B' ' 142' ' ' ALA . 8.7 m -100.11 -14.99 18.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.38 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' HIS . . . . . 0.463 ' O ' ' CG2' ' B' ' 150' ' ' VAL . 2.0 t-80 -113.37 -31.34 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 109.593 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' B' ' 144' ' ' LEU . 15.9 t0 -64.81 -14.93 60.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 99.989999999999995 109.29 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.16 -45.45 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 99.989999999999995 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' B' ' 154' ' ' VAL . 32.7 m -64.91 -31.6 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.272 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . 0.449 ' N ' HG21 ' B' ' 150' ' ' VAL . . . -53.91 -39.46 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 109.209 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . 0.544 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 51.3 m80 -70.59 -50.38 37.81 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.382 1.052 . . . . 99.989999999999995 109.598 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' GLU . . . . . 0.403 ' HA ' ' CB ' ' B' ' 156' ' ' SER . 1.3 mp0 -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 110.349 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' B' ' 150' ' ' VAL . 1.3 t -59.04 -31.11 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.624 1.203 . . . . 99.989999999999995 109.32 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 1.2 p90 -113.08 1.29 15.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 111.055 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' SER . . . . . 0.403 ' CB ' ' HA ' ' B' ' 153' ' ' GLU . 0.6 OUTLIER -92.39 166.42 12.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.935 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -44.07 107.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 99.989999999999995 109.217 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.89 -11.42 58.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.301 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.282 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.06 -0.816 . . . . 99.989999999999995 111.06 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.59 -177.26 3.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 0.746 . . . . 99.989999999999995 110.011 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD23 HD23 ' A' ' 5' ' ' LEU . 8.8 tp -56.54 149.17 17.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.451 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -115.32 19.1 15.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.32 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.509 ' CD2' ' OE1' ' B' ' 137' ' ' GLN . 0.3 OUTLIER -52.01 -24.19 6.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.615 1.197 . . . . 99.989999999999995 109.398 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.532 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 4.1 tt0 -62.23 -31.04 71.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.27 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -73.29 -36.89 66.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 110.277 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 12' ' ' ILE . 2.2 t0 -63.75 -19.02 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.532 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 7.5 p -43.39 -27.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.188 . . . . 99.989999999999995 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.428 ' N ' ' C ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -94.84 -42.91 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 99.989999999999995 110.27 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -71.24 -21.2 62.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.63 1.206 . . . . 99.989999999999995 110.248 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.595 ' N ' ' O ' ' A' ' 8' ' ' ASP . 4.8 tt -61.05 -33.67 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 2.9 mm? -55.62 -18.31 7.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.585 1.178 . . . . 99.989999999999995 109.35 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.503 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 23.2 tt0 -87.61 -31.03 20.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 110.378 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.25 -50.42 53.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.619 1.2 . . . . 99.989999999999995 109.262 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.595 ' CE ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -62.86 -49.72 73.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.967 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 9.0 pt-20 -57.96 -19.04 27.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.249 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 1.6 m80 -81.25 -35.66 30.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 109.64 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.522 ' O ' HG22 ' A' ' 22' ' ' THR . 1.3 m -78.59 -35.6 18.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.413 1.071 . . . . 99.989999999999995 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.475 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 1.2 pt20 -67.35 -3.21 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -74.88 -2.92 29.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.229 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.673 HG21 ' CD2' ' B' ' 122' ' ' TYR . 13.3 t -88.08 -19.74 26.66 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 110.402 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.01 -48.92 1.77 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 111.031 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.53 ' HG2' ' CG2' ' A' ' 22' ' ' THR . 0.7 OUTLIER -75.53 59.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 99.989999999999995 110.359 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.702 ' O ' ' C ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -157.18 49.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.587 1.18 . . . . 99.989999999999995 109.276 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.702 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.5 m-80 -9.46 107.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.55 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 12.5 t30 -62.18 -18.15 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.3 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.12 -46.72 79.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.507 ' HG2' ' CB ' ' A' ' 26' ' ' ASN . 5.5 pttp -72.41 -43.29 64.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 10.5 tt -67.53 -27.98 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.243 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 27' ' ' ASN . . . -72.42 -30.33 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.334 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.404 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -59.73 -45.79 91.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 109.988 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD23 ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -56.8 -24.18 48.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.382 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.708 ' N ' HD23 ' A' ' 33' ' ' LEU . 48.5 mt-30 -71.84 -35.85 70.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 110.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.436 ' HB2' ' NH2' ' B' ' 111' ' ' ARG . 42.9 mm-40 -60.34 -30.6 69.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 99.989999999999995 110.239 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.428 HG11 ' N ' ' A' ' 37' ' ' LEU . 11.4 p -91.19 -38.21 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' N ' HG11 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -74.06 -19.14 60.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.25 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 34' ' ' GLN . 37.3 mm-40 -107.99 13.67 25.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 99.989999999999995 110.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 42.2 t -91.79 141.07 29.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 110.023 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 42' ' ' PHE . 1.3 tp10 -74.94 -30.7 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 110.26 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CE1' HD23 ' B' ' 144' ' ' LEU . 0.3 OUTLIER -45.19 -21.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 110.959 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.756 ' CE2' ' CD2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -71.31 -38.08 71.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 111.003 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.54 -28.45 29.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 111.005 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.05 85.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 99.989999999999995 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.2 t -75.04 -39.76 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 99.989999999999995 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -30.24 63.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 110.26 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -46.53 78.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.385 1.053 . . . . 99.989999999999995 110.31 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.38 -47.06 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.408 1.067 . . . . 99.989999999999995 109.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.5 -44.31 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 111.045 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -67.33 -46.52 73.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.4 1.062 . . . . 99.989999999999995 110.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 m -60.64 -42.89 97.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 110.415 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.27 -40.7 83.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.985 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.0 -0.37 . . . . 99.989999999999995 110.0 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.6 -5.35 35.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.304 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.98 72.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 109.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 110' ' ' GLN . 32.9 m -85.67 -34.31 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.353 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.428 ' N ' HG23 ' B' ' 109' ' ' VAL . 0.7 OUTLIER -66.11 -23.28 66.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.293 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.5 ' HD3' ' N ' ' B' ' 112' ' ' ALA . 0.0 OUTLIER -57.76 -19.37 27.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 110.25 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.5 ' N ' ' HD3' ' B' ' 111' ' ' ARG . . . -64.01 -56.29 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.344 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . 0.435 ' HA ' ' CD2' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -79.09 -25.33 43.05 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.331 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 15.7 tt0 -50.26 -28.12 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.405 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.471 HG22 ' CG ' ' A' ' 29' ' ' LYS . 4.9 p -58.81 -33.99 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 99.989999999999995 109.367 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' B' ' 113' ' ' LYS . 1.5 mm? -56.7 -22.31 34.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.193 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.2 OUTLIER -59.18 -38.94 81.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 110.371 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.474 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 5.7 tp10 -81.99 -35.97 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.198 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.526 ' O ' ' O ' ' B' ' 122' ' ' TYR . 0.5 OUTLIER -60.3 -16.14 11.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.287 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -23.46 63.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.022 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.86 -23.98 16.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 108.311 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.725 ' CZ ' ' HB3' ' B' ' 124' ' ' GLU . 0.1 OUTLIER -101.9 121.73 49.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 111.051 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 95.57 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.428 1.751 . . . . 99.989999999999995 111.075 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.725 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -98.23 -173.85 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 110.216 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.428 ' HB3' ' CB ' ' B' ' 128' ' ' ALA . 54.8 t-20 -87.7 123.44 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.184 . . . . 99.989999999999995 109.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.593 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 21.3 m120 -51.66 -31.41 25.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.51 -49.71 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.309 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.461 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . . . -59.81 -46.48 89.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.276 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -72.88 -28.7 62.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.287 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.593 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 0.0 OUTLIER -62.28 -34.47 76.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 110.32 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.481 ' CG ' HG13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.94 -43.38 95.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.22 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.573 ' CG ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -69.25 -35.78 76.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.222 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' B' ' 133' ' ' ARG . 8.6 ttm105 -71.25 -49.12 46.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.175 . . . . 99.989999999999995 110.289 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . 0.465 ' CD1' HD13 ' B' ' 131' ' ' LEU . 2.4 pp -61.75 -22.66 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' B' ' 131' ' ' LEU . 0.1 OUTLIER -70.4 -7.58 44.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.31 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' B' ' 136' ' ' THR . 6.0 p -108.74 85.01 2.02 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.362 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.596 ' HB3' ' HD2' ' B' ' 138' ' ' PRO . 0.8 OUTLIER -112.95 175.47 1.84 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.633 1.208 . . . . 99.989999999999995 110.228 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.596 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.0 Cg_endo -75.06 -2.88 13.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 99.989999999999995 110.931 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' B' ' 137' ' ' GLN . 15.7 p80 -102.72 -50.67 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.66 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' PHE . . . . . 0.756 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.38 -72.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 110.966 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 3.4 tpt -48.55 -26.82 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 111.036 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.73 -32.64 60.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' B' ' 140' ' ' PHE . 0.2 OUTLIER -74.96 -35.33 62.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.347 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . 0.593 HD23 ' CE1' ' A' ' 41' ' ' PHE . 17.7 mt -60.22 -36.06 76.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.641 1.213 . . . . 99.989999999999995 109.278 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -78.08 -15.23 59.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.189 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 88.6 m -95.13 -18.36 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.379 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' HIS . . . . . 0.543 ' O ' ' ND1' ' B' ' 147' ' ' HIS . 21.8 t-80 -115.12 -8.14 12.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.639 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' B' ' 144' ' ' LEU . 0.0 OUTLIER -63.74 -21.24 66.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 99.989999999999995 109.286 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . 0.504 ' O ' ' ND1' ' B' ' 152' ' ' HIS . 41.2 t -60.14 -45.09 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.393 1.058 . . . . 99.989999999999995 109.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' B' ' 154' ' ' VAL . 22.0 t -78.26 -39.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.583 1.177 . . . . 99.989999999999995 109.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.42 -40.52 74.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.267 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . 0.545 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.1 OUTLIER -70.63 -47.72 58.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 99.989999999999995 109.612 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -65.55 -26.14 67.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.299 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' B' ' 150' ' ' VAL . 1.4 t -58.1 -36.77 58.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.296 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' TYR . . . . . 0.545 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 1.2 p90 -103.85 -3.62 24.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 111.039 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.08 166.3 14.53 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.6 1.188 . . . . 99.989999999999995 109.978 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -43.69 107.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.268 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' B' ' 159' ' ' ALA . 0.0 OUTLIER -82.47 -11.35 58.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.341 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' ALA . . . . . 0.462 ' N ' ' OE1' ' B' ' 158' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.274 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.084 0 N-CA-C 111.024 -0.831 . . . . 99.989999999999995 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -98.2 178.32 5.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 0.773 . . . . 99.989999999999995 109.978 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.35 90.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.392 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 8' ' ' ASP . 12.2 p30 -123.75 0.67 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.365 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.469 HD12 ' CD2' ' B' ' 135' ' ' LEU . 0.6 OUTLIER -63.14 -41.99 99.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.387 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.437 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 57.1 tt0 -61.91 -48.79 78.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.065 . . . . 99.989999999999995 110.285 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -71.22 -37.28 72.05 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.576 1.172 . . . . 99.989999999999995 110.258 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 12' ' ' ILE . 2.4 m-20 -71.97 -22.19 61.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.212 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.584 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -50.4 -29.27 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.614 1.196 . . . . 99.989999999999995 109.231 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -91.95 -43.76 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -65.28 -19.64 66.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 110.344 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.51 HG13 ' CG ' ' B' ' 131' ' ' LEU . 2.9 tt -69.11 -32.46 54.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.319 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.635 ' HA ' ' HE1' ' A' ' 16' ' ' MET . 3.6 mm? -59.63 -19.2 47.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 11.8 tt0 -83.23 -50.91 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.281 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.403 HD12 ' HG ' ' B' ' 131' ' ' LEU . 1.2 mt -59.14 -42.59 91.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 99.989999999999995 109.334 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.649 ' CE ' ' CD2' ' A' ' 33' ' ' LEU . 4.0 mtp -53.6 -49.13 68.46 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.953 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HA ' ' CG ' ' A' ' 20' ' ' GLN . 1.6 tt0 -70.85 -19.06 62.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.423 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.524 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.8 m80 -78.84 -35.95 43.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.678 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.621 ' O ' ' OH ' ' B' ' 122' ' ' TYR . 4.8 m -79.46 -40.37 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.56 ' NE2' ' C ' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -66.0 -3.67 5.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 110.256 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.524 ' HG3' ' HA ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -68.63 -8.71 44.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 109.371 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.591 HG22 ' CE2' ' B' ' 122' ' ' TYR . 11.8 t -81.17 -23.36 38.27 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.378 1.048 . . . . 99.989999999999995 110.373 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.08 -41.93 3.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 111.016 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 61.54 0.79 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 0.719 . . . . 99.989999999999995 110.268 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.707 ' O ' ' C ' ' A' ' 26' ' ' ASN . 2.2 p -171.67 57.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.304 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 25' ' ' VAL . 3.6 m-80 -3.43 106.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 99.989999999999995 109.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' ALA . 3.2 p-10 -61.1 -26.01 67.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 99.989999999999995 109.348 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.44 83.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.31 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.488 ' HG2' ' N ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -72.58 -39.18 67.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.343 1.027 . . . . 99.989999999999995 109.254 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 4.5 tp -72.46 -30.88 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.526 ' HA ' ' HG3' ' A' ' 34' ' ' GLN . . . -62.73 -48.92 77.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.327 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.473 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 2.4 m -54.35 -28.92 46.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.058 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.649 ' CD2' ' CE ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -71.06 -26.88 63.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.653 1.221 . . . . 99.989999999999995 109.259 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.614 ' HG2' ' HE3' ' A' ' 16' ' ' MET . 19.4 mt-30 -75.17 -32.35 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.387 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' A' ' 32' ' ' SER . 20.7 mm-40 -66.62 -45.03 80.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 110.342 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.593 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 7.2 p -71.85 -33.15 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 99.989999999999995 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 4.3 mp -78.72 -40.52 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.358 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 34' ' ' GLN . 14.6 mt-30 -86.99 7.98 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 110.393 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.72 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -70.33 139.56 52.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 110.024 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.99 -35.69 59.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.261 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.72 ' CE2' ' CB ' ' A' ' 39' ' ' SER . 1.6 p90 -49.93 -31.47 12.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.958 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.657 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -55.44 -47.59 75.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.951 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' HA2' ' CZ ' ' A' ' 46' ' ' ARG . . . -78.82 -32.53 40.36 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.558 1.162 . . . . 99.989999999999995 110.987 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.427 ' O ' ' CG ' ' A' ' 47' ' ' GLU . . . -68.82 -43.93 74.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 99.989999999999995 109.346 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.438 HG21 ' CD2' ' B' ' 147' ' ' HIS . 24.4 t -78.35 -33.39 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 3.7 tmm_? -68.22 -35.0 77.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -64.6 -24.91 67.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 110.281 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.466 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 88.6 t -67.87 -40.17 83.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.498 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 3.3 m-85 -62.83 -46.63 87.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 110.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -68.58 -32.79 72.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.344 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -72.85 -48.27 39.0 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 110.396 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 49' ' ' TYR . 14.8 p -71.17 -31.48 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 99.989999999999995 109.241 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 17.4 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 99.989999999999995 110.915 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.473 ' OG ' ' CB ' ' B' ' 151' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.067 -0.346 . . . . 99.989999999999995 110.067 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' B' ' 110' ' ' GLN . 0.6 OUTLIER -77.1 0.18 22.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.305 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.45 91.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 109.293 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' B' ' 144' ' ' LEU . 33.4 m -51.3 -53.28 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.609 1.193 . . . . 99.989999999999995 109.349 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.417 ' HA ' ' CD ' ' B' ' 113' ' ' LYS . 20.0 pt20 -73.4 -34.61 65.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.175 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -53.68 -18.44 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.241 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.479 ' O ' ' CG1' ' B' ' 115' ' ' VAL . . . -67.56 -51.83 45.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 109.251 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -83.11 -29.83 28.41 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.253 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 1.8 tt0 -45.83 -28.79 1.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.614 1.196 . . . . 99.989999999999995 110.234 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' B' ' 112' ' ' ALA . 7.3 p -58.91 -33.71 50.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.323 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' B' ' 113' ' ' LYS . 1.5 mm? -63.83 -22.56 66.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.388 1.055 . . . . 99.989999999999995 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 1.1 pp20? -58.83 -39.5 81.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 110.29 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.465 ' O ' ' CD ' ' B' ' 118' ' ' GLU . 0.3 OUTLIER -80.41 -38.65 29.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 110.345 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' B' ' 122' ' ' TYR . 0.7 OUTLIER -57.35 -15.24 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.329 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 4.5 t -60.11 -26.19 66.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.016 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 3.5 t -94.82 -33.66 12.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 108.31 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.694 ' CZ ' ' HB3' ' B' ' 124' ' ' GLU . 0.1 OUTLIER -88.53 117.76 68.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.976 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.482 1.78 . . . . 99.989999999999995 110.976 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.694 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 2.7 pt-20 -108.11 -174.3 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.474 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 33.0 t-20 -70.72 120.32 16.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.271 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.528 ' HA ' ' CE ' ' B' ' 129' ' ' LYS . 6.0 m120 -56.32 -24.7 45.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -51.2 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.458 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -55.71 -54.27 46.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.318 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.528 ' CE ' ' HA ' ' B' ' 126' ' ' ASN . 1.5 ptpt -60.67 -27.03 67.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.27 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' B' ' 126' ' ' ASN . 8.2 mt-10 -73.14 -31.68 64.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.51 ' CG ' HG13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -57.14 -40.56 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.255 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.517 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 3.0 mmmt -73.32 -37.35 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.357 1.036 . . . . 99.989999999999995 109.352 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -67.76 -41.93 82.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 110.302 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 131' ' ' LEU . 2.0 pp -71.1 -25.4 25.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.5 ' CD1' HD13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -68.62 -10.79 58.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.323 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' B' ' 136' ' ' THR . 10.9 p -105.85 82.75 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 110.37 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.576 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -111.93 -177.5 0.45 Allowed Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.357 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' B' ' 137' ' ' GLN . 18.5 Cg_endo -74.95 -1.11 10.78 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.793 . . . . 99.989999999999995 110.983 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -53.78 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.664 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' PHE . . . . . 0.542 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -78.41 -71.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 111.018 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' MET . . . . . 0.5 ' HE3' ' CD1' ' B' ' 144' ' ' LEU . 6.0 tpt -49.53 -26.38 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 111.025 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.97 -35.06 59.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 109.287 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -66.66 -35.94 81.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.403 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . 0.535 HD22 ' CE2' ' A' ' 42' ' ' PHE . 10.1 mt -68.24 -37.09 80.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.602 1.189 . . . . 99.989999999999995 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -77.01 -8.09 56.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 99.989999999999995 110.22 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.2 -5.57 13.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.395 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' HIS . . . . . 0.438 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -114.99 -36.73 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.6 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' B' ' 144' ' ' LEU . 2.1 p-10 -65.14 -13.67 58.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.33 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . 0.472 ' O ' ' ND1' ' B' ' 152' ' ' HIS . 91.1 t -61.28 -38.76 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.352 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' VAL . . . . . 0.444 ' O ' ' CG2' ' B' ' 154' ' ' VAL . 76.7 t -77.49 -38.66 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.298 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . 0.473 ' CB ' ' OG ' ' B' ' 106' ' ' SER . . . -64.47 -40.16 95.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.386 1.054 . . . . 99.989999999999995 109.264 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' HIS . . . . . 0.584 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.0 OUTLIER -65.55 -49.34 69.26 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.706 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' B' ' 152' ' ' HIS . 1.3 tt0 -69.82 -25.36 63.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 110.262 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' B' ' 150' ' ' VAL . 2.0 t -58.99 -36.57 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.192 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' TYR . . . . . 0.584 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 0.8 OUTLIER -100.39 -8.2 23.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 110.98 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.51 166.73 15.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.979 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -43.34 107.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.373 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.48 -11.5 58.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.06 . . . . 99.989999999999995 110.312 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.293 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 12' ' ' ILE . 1.2 m-20 -71.8 -20.59 61.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.842 HG22 HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -55.63 -30.09 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.15 -40.09 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -68.68 -19.07 64.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.895 HG23 HD22 ' A' ' 13' ' ' LEU . 8.6 tt -69.36 -35.3 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.199 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.895 HD22 HG23 ' A' ' 12' ' ' ILE . 2.9 mm? -62.01 -19.82 63.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 5.8 tt0 -80.25 -49.07 12.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.755 HD13 HD23 ' B' ' 131' ' ' LEU . 1.3 mt -62.15 -43.32 99.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.829 ' CE ' HD13 ' A' ' 13' ' ' LEU . 8.6 mtp -57.44 -46.49 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 1.1 tp10 -69.54 -16.8 63.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.229 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -84.85 -43.88 13.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.622 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.879 HG11 ' OE1' ' B' ' 124' ' ' GLU . 3.4 m -72.1 -30.52 36.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.718 ' HA ' HG11 ' A' ' 25' ' ' VAL . 3.8 pt20 -70.45 -1.69 11.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.229 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 17' ' ' GLU . 2.7 mmmt -82.44 8.41 11.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.837 HG21 ' CG ' ' B' ' 122' ' ' TYR . 9.2 t -91.58 -23.02 20.03 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 110.379 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.77 -45.51 3.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.083 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -78.86 63.07 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.387 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.722 ' O ' ' C ' ' A' ' 26' ' ' ASN . 12.2 p -170.14 43.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.722 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -0.16 108.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 12.2 p30 -60.49 -13.81 15.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.366 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.33 -52.55 61.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.704 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.5 OUTLIER -72.77 -44.7 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.815 HD21 ' HB3' ' A' ' 16' ' ' MET . 1.1 tm? -54.31 -47.94 71.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.24 -41.35 94.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -54.14 -34.08 59.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.932 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.893 HD13 ' HZ2' ' B' ' 132' ' ' LYS . 0.7 OUTLIER -68.31 -30.55 69.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.579 ' HA ' HD11 ' A' ' 13' ' ' LEU . 46.2 mt-30 -69.88 -37.84 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -60.8 -32.59 71.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.778 HG11 ' HB2' ' B' ' 112' ' ' ALA . 7.5 p -88.41 -38.32 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.842 HD13 HG22 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -68.49 -39.12 81.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -91.61 6.21 46.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.63 ' OG ' ' CE1' ' A' ' 41' ' ' PHE . 84.6 p -61.6 141.98 57.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.42 -33.0 58.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.637 ' CD2' ' C ' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -53.98 -31.14 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.075 . . . . 0.0 110.987 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.09 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -57.66 -45.6 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.12 -36.73 30.66 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.12 93.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.698 HG11 HD13 ' B' ' 143' ' ' LEU . 35.8 t -77.35 -41.83 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 1.7 tmt_? -56.55 -29.35 61.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.46 -41.43 93.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.01 -44.38 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -46.58 62.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.52 HG11 ' HB3' ' B' ' 144' ' ' LEU . 10.8 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' B' ' 114' ' ' GLU . 4.1 tt0 -56.94 -33.11 66.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.546 ' C ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -57.49 -25.57 59.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.911 ' O ' HG12 ' B' ' 115' ' ' VAL . . . -62.86 -61.31 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -76.82 -20.14 56.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' B' ' 113' ' ' LYS . 60.8 tt0 -45.97 -36.5 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.979 HG13 HD23 ' B' ' 116' ' ' LEU . 2.5 p -59.18 -33.2 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.979 HD23 HG13 ' B' ' 115' ' ' VAL . 0.1 OUTLIER -66.15 -30.8 71.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' B' ' 118' ' ' GLU . 0.0 OUTLIER -59.33 -35.6 74.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 4.5 tp10 -82.16 -29.59 31.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.58 HD12 ' O ' ' B' ' 115' ' ' VAL . 1.0 OUTLIER -69.46 -12.69 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -59.1 -26.85 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.043 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 4.0 t -93.35 -38.01 11.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.837 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -81.82 117.4 68.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 111.009 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 96.15 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.879 ' OE1' HG11 ' A' ' 19' ' ' VAL . 3.2 pt-20 -110.63 -179.58 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 61.4 t-20 -61.72 115.48 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' ASN . . . . . 0.468 ' HA ' ' CD ' ' B' ' 129' ' ' LYS . 16.1 p-10 -51.51 -26.24 8.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.71 -48.65 18.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.419 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.31 -54.53 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 1.1 ptpt -58.72 -29.48 66.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.465 ' O ' HG23 ' B' ' 134' ' ' ILE . 31.7 tt0 -72.77 -26.45 61.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.365 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.838 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -63.35 -41.92 98.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 132' ' ' LYS . . . . . 0.893 ' HZ2' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -69.58 -33.3 72.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.89 -49.65 28.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 134' ' ' ILE . . . . . 0.838 HD11 HD13 ' B' ' 131' ' ' LEU . 2.4 pp -63.64 -18.92 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.566 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.51 -8.5 41.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 136' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' B' ' 136' ' ' THR . 4.4 p -108.02 84.77 2.0 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.622 1.201 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 137' ' ' GLN . . . . . 0.531 ' HB3' ' HD2' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -115.13 179.39 0.79 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.4 Cg_endo -74.99 -0.2 9.67 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 139' ' ' HIS . . . . . 0.41 ' ND1' ' HB2' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.88 -55.83 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.634 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 140' ' ' PHE . . . . . 0.826 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -78.24 -72.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 141' ' ' MET . . . . . 0.668 ' HA ' ' HE3' ' B' ' 141' ' ' MET . 3.5 tpt -48.18 -27.2 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 142' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.02 -34.2 61.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.829 HD21 ' HD1' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -73.68 -35.1 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 144' ' ' LEU . . . . . 1.09 HD21 ' CE1' ' A' ' 42' ' ' PHE . 21.6 mt -61.27 -40.2 93.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -76.82 -13.66 59.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -95.94 -13.94 23.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 147' ' ' HIS . . . . . 0.583 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.613 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 9' ' ' VAL . 16.1 p30 -71.91 -19.2 61.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.213 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 1.048 HG22 ' CD1' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -44.88 -30.36 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.37 -44.82 7.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.475 1.109 . . . . 0.0 110.361 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -19.84 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.905 HD12 HD23 ' B' ' 135' ' ' LEU . 3.5 tt -65.32 -32.23 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.449 ' HA ' ' HE2' ' A' ' 16' ' ' MET . 1.1 mm? -66.89 -21.15 66.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.579 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 3.9 tt0 -80.39 -47.72 14.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.115 . . . . 0.0 110.235 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.681 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.4 mt -61.63 -34.52 75.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 1.03 ' CE ' HD12 ' A' ' 33' ' ' LEU . 6.5 mtm -66.97 -46.22 75.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.99 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 26.9 tt0 -65.42 -14.9 61.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.233 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -85.22 -39.72 17.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.514 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.862 HG11 ' OE1' ' B' ' 124' ' ' GLU . 5.0 m -71.38 -32.9 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 17' ' ' GLU . 10.9 pt20 -71.99 -3.2 21.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 110.308 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' HIS . 17.5 mmmt -69.32 -10.59 58.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.951 HG21 ' CD2' ' B' ' 122' ' ' TYR . 2.5 t -81.27 -22.38 38.69 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.71 -42.74 2.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.42 1.075 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.603 ' C ' HG12 ' A' ' 25' ' ' VAL . 1.3 tp10 -76.76 59.13 1.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 0.761 . . . . 0.0 110.38 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.883 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 1.6 m -161.92 44.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.717 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -0.14 109.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 16.8 p30 -60.93 -17.62 52.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -52.79 64.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.885 ' HG3' HG23 ' B' ' 115' ' ' VAL . 1.0 OUTLIER -74.34 -29.91 61.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 16' ' ' MET . 2.1 tm? -66.8 -48.83 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.84 -29.81 69.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.506 ' OG ' ' NH1' ' B' ' 111' ' ' ARG . 1.2 m -53.99 -22.94 11.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.945 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.03 HD12 ' CE ' ' A' ' 16' ' ' MET . 2.6 tm? -83.65 -41.97 17.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.07 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.627 ' O ' ' N ' ' A' ' 38' ' ' GLN . 64.3 mt-30 -54.15 -49.15 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 32' ' ' SER . 13.7 pt20 -54.89 -51.4 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.551 ' CG1' ' HA ' ' A' ' 33' ' ' LEU . 4.9 p -66.0 -47.07 86.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.048 ' CD1' HG22 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -65.01 -30.01 70.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.627 ' N ' ' O ' ' A' ' 34' ' ' GLN . 6.4 mm100 -94.6 13.81 22.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.617 ' OG ' ' CE2' ' A' ' 41' ' ' PHE . 59.9 p -83.29 146.94 28.26 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.897 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -75.27 -42.52 54.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.345 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -40.27 -37.73 0.69 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.375 1.047 . . . . 0.0 111.045 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.025 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -55.7 -42.83 75.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.625 1.203 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . -85.81 -36.06 10.77 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.538 1.149 . . . . 0.0 110.921 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.54 82.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.228 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.974 HG11 HD13 ' B' ' 143' ' ' LEU . 68.0 t -75.08 -40.7 44.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 4.7 tmm_? -60.97 -28.44 69.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 110.249 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -33.0 74.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.0 t -68.44 -29.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -46.45 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.399 1.062 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.254 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.401 ' HG2' ' CD ' ' B' ' 114' ' ' GLU . 8.0 tt0 -58.59 -33.7 70.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.389 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.507 ' HD3' ' O ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -52.46 -20.31 2.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 110.364 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.803 ' HB1' HD23 ' A' ' 33' ' ' LEU . . . -59.17 -60.22 4.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' LYS . . . . . 0.585 ' O ' HD22 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -81.98 -31.01 31.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 1.6 tt0 -42.8 -27.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.382 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.885 HG23 ' HG3' ' A' ' 29' ' ' LYS . 7.3 p -57.27 -34.8 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.585 HD22 ' O ' ' B' ' 113' ' ' LYS . 1.5 mm? -60.65 -20.98 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.385 1.053 . . . . 0.0 109.239 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -57.75 -38.36 75.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.43 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 18.3 tp10 -83.18 -34.45 25.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.433 ' HB ' ' HA ' ' B' ' 116' ' ' LEU . 1.2 mt -66.78 -14.9 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -24.42 65.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 t -95.23 -30.41 14.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.951 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -92.04 118.33 68.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.05 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.862 ' OE1' HG11 ' A' ' 19' ' ' VAL . 3.9 pt-20 -110.33 -178.95 3.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.468 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 60.8 t-20 -69.35 125.15 25.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.383 1.052 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 2.5 m-20 -59.64 -23.74 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.12 -49.8 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 1.181 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.455 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.51 -51.32 70.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -64.44 -28.98 70.04 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.483 1.115 . . . . 0.0 109.237 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.471 ' HG3' HG23 ' B' ' 134' ' ' ILE . 12.9 tt0 -66.16 -35.45 80.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.392 1.058 . . . . 0.0 110.196 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.88 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -60.84 -42.17 97.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 132' ' ' LYS . . . . . 0.833 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -70.54 -33.33 71.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -49.3 26.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 134' ' ' ILE . . . . . 0.88 HD11 HD13 ' B' ' 131' ' ' LEU . 2.6 pp -61.67 -18.87 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.365 1.041 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.905 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -69.14 -8.19 43.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 136' ' ' THR . . . . . 0.461 ' O ' ' OG1' ' B' ' 136' ' ' THR . 4.3 p -108.94 84.14 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 137' ' ' GLN . . . . . 0.605 ' O ' ' HB3' ' B' ' 141' ' ' MET . 0.0 OUTLIER -110.62 175.14 2.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.396 1.06 . . . . 0.0 110.342 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.6 Cg_endo -74.8 -2.3 12.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.457 1.767 . . . . 0.0 111.035 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 139' ' ' HIS . . . . . 0.477 ' CG ' ' N ' ' B' ' 140' ' ' PHE . 0.0 OUTLIER -102.49 -53.26 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.623 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 140' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -77.47 -70.81 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.37 1.044 . . . . 0.0 110.945 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 141' ' ' MET . . . . . 0.605 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -48.3 -35.2 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 142' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -62.79 -36.1 82.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.974 HD13 HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -70.4 -35.45 73.46 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.355 1.034 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 144' ' ' LEU . . . . . 1.025 HD21 ' CE1' ' A' ' 42' ' ' PHE . 25.4 mt -59.23 -37.54 77.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.61 -10.63 57.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 84.9 m -95.77 -16.33 21.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' HIS . . . . . 0.672 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.551 ' CG ' HD11 ' B' ' 131' ' ' LEU . 0.8 OUTLIER -59.71 -32.03 70.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.854 ' O ' HG22 ' A' ' 12' ' ' ILE . 11.5 m -43.03 -29.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.609 1.193 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.419 ' N ' ' C ' ' A' ' 8' ' ' ASP . 4.2 mt-30 -86.38 -40.19 15.66 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.332 1.02 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -73.28 -20.15 60.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.951 HD12 HD23 ' B' ' 135' ' ' LEU . 8.6 tt -65.98 -34.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.744 HD22 ' O ' ' A' ' 9' ' ' VAL . 1.3 mm? -70.41 -21.37 62.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.471 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 9.3 tt0 -75.07 -42.66 56.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.96 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.1 mt -72.88 -48.47 37.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.773 ' HB3' HD11 ' A' ' 30' ' ' LEU . 15.7 mtp -53.5 -47.09 70.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 9.6 pt-20 -70.61 -16.17 62.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.473 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.8 m80 -86.86 -35.51 18.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.564 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.96 HG13 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -71.44 -36.43 60.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.1 . . . . 0.0 109.402 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -71.05 -3.71 21.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.656 1.223 . . . . 0.0 110.325 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HA ' ' CE ' ' A' ' 21' ' ' LYS . 3.1 mmpt? -60.87 -13.57 16.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 1.224 HG21 ' CD1' ' B' ' 122' ' ' TYR . 10.7 t -79.77 -20.68 45.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.95 -40.63 2.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' H ' HG23 ' A' ' 22' ' ' THR . 13.9 mm-40 -80.99 61.03 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.382 0.696 . . . . 0.0 110.327 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.716 ' O ' ' C ' ' A' ' 26' ' ' ASN . 22.0 t -153.91 51.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.716 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.7 m-80 -3.74 102.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -62.25 -22.77 66.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.48 73.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.383 1.052 . . . . 0.0 109.343 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HE3' ' CB ' ' B' ' 118' ' ' GLU . 5.9 pttm -72.16 -43.82 64.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.167 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.773 HD11 ' HB3' ' A' ' 16' ' ' MET . 0.7 OUTLIER -54.85 -36.39 65.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.381 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HA ' ' CD ' ' A' ' 34' ' ' GLN . . . -73.76 -34.5 64.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.7 m -53.5 -27.27 24.62 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.624 1.202 . . . . 0.0 109.959 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.856 ' CD2' ' HB1' ' B' ' 112' ' ' ALA . 2.0 tm? -75.95 -41.95 49.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.732 ' CG ' HD12 ' A' ' 13' ' ' LEU . 3.9 mt-30 -61.26 -37.24 82.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -60.3 -33.26 72.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.734 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 3.5 p -90.29 -46.22 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.416 1.073 . . . . 0.0 109.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.804 ' HG ' HD11 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -58.78 -26.34 63.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.235 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 4.2 mt-30 -107.07 13.55 27.33 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.626 1.203 . . . . 0.0 110.335 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -84.66 149.84 25.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 109.931 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -74.9 -32.16 61.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.99 ' CZ ' HD22 ' B' ' 144' ' ' LEU . 0.3 OUTLIER -49.48 -21.21 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.629 1.206 . . . . 0.0 111.076 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.25 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -82.41 -41.75 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 111.027 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.01 -34.78 13.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.18 94.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' B' ' 147' ' ' HIS . 38.4 t -78.17 -43.83 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 4.3 tmm_? -57.92 -28.14 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.201 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.66 -38.78 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -66.49 -29.97 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.14 -46.59 70.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.423 ' CG2' ' HE1' ' B' ' 141' ' ' MET . 2.5 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.456 ' O ' ' HD3' ' B' ' 113' ' ' LYS . 56.9 mt-30 -56.33 -25.62 49.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.226 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.513 ' HD3' ' N ' ' B' ' 112' ' ' ALA . 0.0 OUTLIER -51.65 -18.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.856 ' HB1' ' CD2' ' A' ' 33' ' ' LEU . . . -66.56 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 0.0 109.24 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -77.92 -24.33 48.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.375 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 11.6 tt0 -46.79 -28.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 110.255 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.508 HG22 ' HZ1' ' B' ' 132' ' ' LYS . 6.0 m -58.61 -34.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.241 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' B' ' 113' ' ' LYS . 0.8 OUTLIER -60.86 -22.13 63.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.2 OUTLIER -61.12 -38.06 85.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.45 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -82.43 -36.48 26.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.516 ' O ' ' O ' ' B' ' 122' ' ' TYR . 1.0 OUTLIER -63.2 -13.34 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.65 1.219 . . . . 0.0 109.379 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 4.3 m -60.52 -28.36 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.089 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.34 -37.9 14.55 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.157 . . . . 0.0 108.229 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 1.224 ' CD1' HG21 ' A' ' 22' ' ' THR . 0.4 OUTLIER -83.71 130.45 55.59 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 94.34 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 0.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.682 ' HB3' ' CE2' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -99.34 -175.97 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.454 ' N ' ' HG2' ' B' ' 124' ' ' GLU . 64.6 t-20 -97.1 118.97 34.7 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 109.206 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' B' ' 130' ' ' GLU . 32.2 m120 -49.96 -26.83 4.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.548 1.155 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -75.22 -50.74 15.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.883 ' HA ' HD22 ' A' ' 15' ' ' LEU . . . -61.2 -45.58 93.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.416 ' HB3' ' CG ' ' B' ' 124' ' ' GLU . 3.8 ptmt -71.46 -25.63 62.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.699 ' O ' HG23 ' B' ' 134' ' ' ILE . 2.6 mt-10 -61.14 -36.91 81.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.195 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.551 HD11 ' CG ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -60.06 -44.04 95.0 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.479 1.112 . . . . 0.0 109.237 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 132' ' ' LYS . . . . . 0.944 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.0 -40.25 60.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -65.39 -40.02 92.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 110.276 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' ILE . . . . . 0.699 HG23 ' O ' ' B' ' 130' ' ' GLU . 2.3 pp -75.38 -16.28 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.395 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.951 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -67.69 -14.44 62.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.198 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 136' ' ' THR . . . . . 0.488 ' O ' ' OG1' ' B' ' 136' ' ' THR . 2.9 p -103.51 83.42 2.16 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 137' ' ' GLN . . . . . 0.558 ' O ' ' HB3' ' B' ' 141' ' ' MET . 0.0 OUTLIER -113.39 176.18 1.58 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.0 Cg_endo -75.02 -1.82 11.73 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -54.04 2.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 0.0 109.627 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 140' ' ' PHE . . . . . 0.958 ' HA ' HD23 ' B' ' 143' ' ' LEU . 0.1 OUTLIER -76.81 -70.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 141' ' ' MET . . . . . 0.676 ' HE3' HD12 ' B' ' 144' ' ' LEU . 4.6 tpt -49.79 -26.41 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 111.069 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 142' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -76.65 -33.76 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.616 1.198 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.958 HD23 ' HA ' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -69.89 -35.38 74.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 144' ' ' LEU . . . . . 1.25 HD21 ' CE1' ' A' ' 42' ' ' PHE . 11.9 mt -69.0 -37.43 78.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -72.17 -8.17 53.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 72.4 m -99.15 -17.44 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.588 1.18 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 147' ' ' HIS . . . . . 0.702 ' HB2' HG21 ' A' ' 45' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.065 . . . . 0.0 109.582 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.562 ' O ' ' N ' ' A' ' 12' ' ' ILE . 1.1 m-20 -64.97 -33.34 75.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.992 HG22 ' CD1' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -44.1 -32.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.543 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.24 -38.31 11.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.243 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -25.78 64.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.361 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.024 HD12 HD23 ' B' ' 135' ' ' LEU . 4.7 tt -59.1 -40.28 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.735 HD12 ' HG2' ' A' ' 34' ' ' GLN . 2.8 mm? -57.48 -22.65 45.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 17.0 tt0 -88.43 -38.74 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.773 HD23 ' HG ' ' B' ' 131' ' ' LEU . 1.4 mm? -64.24 -53.46 48.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 1.075 ' CE ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -65.02 -34.6 78.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 3.1 tt0 -69.91 -18.18 63.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 4.6 m80 -84.42 -30.24 25.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.609 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.667 ' O ' ' CE1' ' B' ' 122' ' ' TYR . 0.9 OUTLIER -78.34 -37.27 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.238 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.83 -4.69 25.47 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.588 1.18 . . . . 0.0 110.271 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -70.16 -7.15 39.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 1.102 HG21 ' CD2' ' B' ' 122' ' ' TYR . 1.8 t -83.74 -20.11 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.47 -45.42 2.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 25' ' ' VAL . 4.3 tp10 -80.12 61.38 3.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.414 0.714 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.715 ' O ' ' C ' ' A' ' 26' ' ' ASN . 2.5 t -154.25 46.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.715 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.8 m120 -2.69 104.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 8.8 p-10 -61.35 -13.99 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.23 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.74 30.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.833 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.0 OUTLIER -76.57 -40.95 48.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.802 HD23 HG21 ' B' ' 115' ' ' VAL . 0.5 OUTLIER -57.72 -45.25 86.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HA ' ' HG3' ' A' ' 34' ' ' GLN . . . -72.39 -33.97 67.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB3' ' NE ' ' B' ' 111' ' ' ARG . 28.4 m -53.65 -29.59 39.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.922 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.075 HD12 ' CE ' ' A' ' 16' ' ' MET . 1.6 tm? -65.29 -30.69 71.57 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.162 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.735 ' HG2' HD12 ' A' ' 13' ' ' LEU . 22.5 mt-30 -68.25 -46.05 71.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -54.8 -27.73 43.94 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 33' ' ' LEU . 7.5 p -93.72 -47.15 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.013 HD23 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.99 -42.68 99.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -88.67 13.19 12.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.541 1.151 . . . . 0.0 110.259 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.633 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -75.47 150.02 38.34 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.139 . . . . 0.0 109.97 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.71 -32.68 62.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.731 ' CD1' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -49.84 -44.22 49.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.378 1.049 . . . . 0.0 110.999 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.827 ' CZ ' ' CE1' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -54.62 -46.55 73.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.92 -35.15 31.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 0.0 110.956 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.7 86.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.756 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.106 HG11 HD13 ' B' ' 143' ' ' LEU . 2.6 t -76.88 -42.11 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 5.9 tpt180 -56.71 -29.48 62.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.195 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -41.87 95.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.72 -50.32 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -51.62 -46.74 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.503 1.127 . . . . 0.0 110.234 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.991 ' CG1' HD13 ' B' ' 144' ' ' LEU . 97.9 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -57.19 -32.95 66.99 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.527 ' C ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -51.75 -20.62 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.609 1.193 . . . . 0.0 110.339 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.744 ' O ' HG12 ' B' ' 115' ' ' VAL . . . -60.18 -62.37 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.609 1.193 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' LYS . . . . . 0.415 ' H ' ' CD ' ' B' ' 113' ' ' LYS . 0.0 OUTLIER -81.19 -26.18 36.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 8.4 tt0 -44.23 -27.6 0.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.833 HG23 ' HG3' ' A' ' 29' ' ' LYS . 5.9 p -57.4 -34.18 45.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.191 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -58.14 -23.1 53.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -64.99 -35.46 81.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 0.1 OUTLIER -81.57 -34.4 31.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.626 HG13 HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -69.07 -14.89 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.414 1.071 . . . . 0.0 109.238 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.4 t -60.07 -27.22 66.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.35 -37.6 12.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 108.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 1.102 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.5 OUTLIER -83.25 121.06 76.77 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 96.54 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.405 1.74 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.788 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 2.4 pt-20 -110.8 -172.45 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -85.29 137.28 33.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' ASN . . . . . 0.489 ' HA ' ' CD ' ' B' ' 129' ' ' LYS . 15.7 m-20 -67.96 -21.53 65.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -48.35 35.35 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.551 1.157 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.631 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.59 -55.03 39.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 8.4 ptmt -60.09 -27.48 67.03 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.835 ' O ' HG23 ' B' ' 134' ' ' ILE . 0.9 OUTLIER -61.99 -31.37 71.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.222 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.888 HD12 ' HB ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.04 -46.69 70.44 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.15 . . . . 0.0 109.211 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 132' ' ' LYS . . . . . 0.654 ' NZ ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -70.45 -32.35 69.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.169 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -49.53 17.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 134' ' ' ILE . . . . . 0.835 HG23 ' O ' ' B' ' 130' ' ' GLU . 2.3 pp -63.32 -19.02 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.593 1.183 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 1.024 HD23 HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -68.79 -11.26 60.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.399 1.062 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 136' ' ' THR . . . . . 0.478 ' HA ' ' HG3' ' B' ' 141' ' ' MET . 7.2 p -106.17 84.49 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 137' ' ' GLN . . . . . 0.408 ' CB ' ' CE1' ' B' ' 139' ' ' HIS . 0.0 OUTLIER -115.72 172.3 3.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.531 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.2 Cg_endo -74.92 -1.53 11.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.536 1.808 . . . . 0.0 111.054 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 139' ' ' HIS . . . . . 0.415 ' NE2' ' HD2' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -102.03 -56.39 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.546 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 140' ' ' PHE . . . . . 0.827 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -77.13 -68.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.082 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 141' ' ' MET . . . . . 0.561 ' HG2' HD12 ' B' ' 144' ' ' LEU . 0.0 OUTLIER -49.67 -44.13 47.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.367 1.042 . . . . 0.0 111.01 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 142' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -52.24 -37.12 54.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 1.106 HD13 HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -61.27 -34.57 75.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 144' ' ' LEU . . . . . 0.991 HD13 ' CG1' ' B' ' 109' ' ' VAL . 23.8 mt -60.81 -42.45 97.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -72.68 -8.98 57.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 110.338 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 22.4 m -105.13 -17.47 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.39 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 147' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 1.6 t-80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.61 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -59.97 -28.73 67.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.078 . . . . 0.0 109.295 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.909 HG22 HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -44.52 -30.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.374 1.046 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.533 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.04 -38.87 12.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.391 1.057 . . . . 0.0 110.252 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -26.46 64.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.364 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.867 HD11 ' HA ' ' B' ' 132' ' ' LYS . 5.0 tt -60.78 -33.64 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.714 HD13 ' HE1' ' A' ' 16' ' ' MET . 3.9 mm? -55.49 -20.82 13.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.339 1.024 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' CG ' ' CE1' ' A' ' 18' ' ' HIS . 17.7 tt0 -87.87 -40.38 14.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.646 ' O ' HG13 ' A' ' 19' ' ' VAL . 2.2 mm? -54.97 -45.99 75.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.907 ' HB3' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -64.01 -47.7 79.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 15.4 tt0 -59.34 -16.05 20.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.257 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.445 ' CE1' ' CG ' ' A' ' 14' ' ' GLU . 1.7 m80 -85.53 -33.72 21.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 109.656 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -78.16 -34.1 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.512 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -70.14 -3.04 14.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.352 1.032 . . . . 0.0 110.351 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 9.7 mtpp -73.24 -8.7 56.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.976 HG21 ' CD2' ' B' ' 122' ' ' TYR . 0.8 OUTLIER -84.25 -24.42 29.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.383 1.052 . . . . 0.0 110.381 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.63 -42.52 2.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.516 ' H ' HG23 ' A' ' 22' ' ' THR . 0.6 OUTLIER -76.54 61.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.356 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.881 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -171.13 59.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.247 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.712 ' C ' ' O ' ' A' ' 25' ' ' VAL . 4.1 m120 -6.23 115.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.225 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.11 -17.2 61.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.34 -52.21 65.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.37 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.947 ' HG3' HG23 ' B' ' 115' ' ' VAL . 6.5 ptmt -68.2 -41.26 81.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.907 HD21 ' HB3' ' A' ' 16' ' ' MET . 2.9 tm? -54.99 -34.08 63.11 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.563 1.164 . . . . 0.0 109.178 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.72 -29.68 63.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.61 1.193 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.485 ' OG ' ' NH1' ' B' ' 111' ' ' ARG . 14.8 m -54.77 -46.33 74.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.063 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -60.44 -31.02 70.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.367 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.688 HE21 HD12 ' A' ' 13' ' ' LEU . 18.3 mt-30 -69.3 -37.79 77.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.472 ' O ' ' OG ' ' A' ' 39' ' ' SER . 5.3 mt-30 -63.92 -27.01 68.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.733 HG11 ' HB2' ' B' ' 112' ' ' ALA . 4.1 p -91.65 -40.05 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.909 HD13 HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -73.66 -32.22 63.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.249 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' GLN . 86.9 mt-30 -86.46 14.06 7.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 35' ' ' GLN . 39.5 m -94.12 139.51 30.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.023 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 42' ' ' PHE . 24.8 pt-20 -74.63 -31.85 62.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' HB2' ' CD2' ' B' ' 147' ' ' HIS . 0.3 OUTLIER -46.06 -21.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.765 ' CE1' ' CE2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -70.77 -42.63 70.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.387 1.055 . . . . 0.0 110.906 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.15 -14.4 66.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.62 70.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.973 ' HB ' HD13 ' B' ' 143' ' ' LEU . 4.7 t -78.71 -39.12 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.399 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HD2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -56.12 -31.87 63.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 0.0 110.404 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.74 -39.24 90.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.249 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.8 -43.13 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -51.34 -45.51 62.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.43 ' CD ' ' NH2' ' A' ' 46' ' ' ARG . 37.5 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.626 1.204 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.909 ' HB ' HD13 ' B' ' 144' ' ' LEU . 18.2 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 114' ' ' GLU . 5.9 tt0 -59.18 -34.52 72.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -53.07 -19.21 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.804 ' HB1' HD23 ' A' ' 33' ' ' LEU . . . -56.92 -61.46 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' LYS . . . . . 0.73 ' HB3' HG21 ' B' ' 136' ' ' THR . 0.0 OUTLIER -83.23 -29.88 28.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 5.0 tt0 -45.9 -28.72 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.947 HG23 ' HG3' ' A' ' 29' ' ' LYS . 12.0 p -60.08 -33.88 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.8 HD22 HG13 ' B' ' 115' ' ' VAL . 2.1 mm? -59.39 -21.21 59.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 1.0 OUTLIER -58.77 -39.33 80.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.415 ' CD ' ' OE2' ' B' ' 117' ' ' GLU . 3.0 tp10 -81.14 -35.69 31.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.406 ' O ' ' O ' ' B' ' 122' ' ' TYR . 0.9 OUTLIER -67.76 -15.61 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.426 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 19.1 m -60.96 -24.37 66.03 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.474 1.109 . . . . 0.0 110.054 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 6.0 t -93.87 -34.67 13.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.183 . . . . 0.0 108.365 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.976 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.76 118.9 70.85 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 111.019 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 94.06 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.622 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -106.4 -173.6 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' B' ' 124' ' ' GLU . 4.8 t-20 -77.04 118.07 19.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.199 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' ASN . . . . . 0.581 ' HA ' ' HG2' ' B' ' 129' ' ' LYS . 9.8 p30 -57.94 -22.68 50.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 130' ' ' GLU . 0.5 OUTLIER -67.86 -48.04 67.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 15' ' ' LEU . . . -74.85 -33.29 62.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.413 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.581 ' HG2' ' HA ' ' B' ' 126' ' ' ASN . 0.5 OUTLIER -71.25 -46.85 60.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.407 1.067 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' B' ' 126' ' ' ASN . 10.4 pt-20 -61.28 -27.31 68.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.551 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -58.89 -44.8 91.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 132' ' ' LYS . . . . . 0.867 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -72.66 -42.18 64.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 133' ' ' ARG . . . . . 0.403 ' HB3' ' HA ' ' B' ' 130' ' ' GLU . 0.0 OUTLIER -56.69 -48.63 77.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.221 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 134' ' ' ILE . . . . . 0.551 HD11 HD13 ' B' ' 131' ' ' LEU . 2.7 pp -67.9 -22.68 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.672 HD23 HD12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -69.3 -11.05 60.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.332 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 136' ' ' THR . . . . . 0.73 HG21 ' HB3' ' B' ' 113' ' ' LYS . 17.1 p -108.75 83.92 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.464 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 137' ' ' GLN . . . . . 0.557 ' HB2' ' CD2' ' B' ' 139' ' ' HIS . 0.0 OUTLIER -113.81 173.95 2.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.1 Cg_endo -75.06 -3.13 13.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.569 1.826 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 139' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' B' ' 140' ' ' PHE . 21.4 p80 -101.5 -55.94 2.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.611 1.195 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 140' ' ' PHE . . . . . 0.765 ' CE2' ' CE1' ' A' ' 42' ' ' PHE . 5.6 t80 -74.89 -67.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.623 1.202 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 141' ' ' MET . . . . . 0.683 ' HE3' HD11 ' B' ' 144' ' ' LEU . 0.0 OUTLIER -50.59 -27.2 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.981 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 142' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -77.72 -34.01 52.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.973 HD13 ' HB ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -67.31 -46.46 73.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 144' ' ' LEU . . . . . 0.909 HD13 ' HB ' ' B' ' 109' ' ' VAL . 3.1 pp -64.31 -35.36 80.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 145' ' ' GLN . . . . . 0.9 ' N ' HD12 ' B' ' 144' ' ' LEU . 37.6 tt0 -71.38 -16.09 62.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 18.2 m -102.49 -6.61 22.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 147' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 1.8 t-80 . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -72.9 -22.21 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.656 ' O ' HG22 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -49.39 -28.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.377 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -93.92 -44.43 8.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -20.04 65.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.222 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.969 HD12 HD23 ' B' ' 135' ' ' LEU . 0.9 OUTLIER -65.32 -36.32 77.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.972 HD13 ' CE ' ' A' ' 16' ' ' MET . 2.2 mm? -53.59 -21.29 6.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.514 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 23.9 tt0 -90.17 -30.8 17.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.236 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.86 ' HG ' HD23 ' B' ' 131' ' ' LEU . 1.5 mm? -66.81 -55.49 14.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.988 ' HE2' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -68.09 -33.05 73.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 1.7 tt0 -73.7 -17.82 61.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.514 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 2.4 m80 -84.11 -33.34 24.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.679 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.762 ' CG1' ' HB3' ' B' ' 128' ' ' ALA . 16.3 m -77.45 -35.72 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.66 ' CB ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -70.41 -4.06 20.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.073 . . . . 0.0 110.355 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.8 OUTLIER -73.55 -1.05 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 1.187 HG21 ' CD2' ' B' ' 122' ' ' TYR . 4.4 t -78.77 -15.38 58.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.549 1.156 . . . . 0.0 110.449 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.96 -45.25 2.31 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.426 1.079 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.511 ' C ' HG23 ' A' ' 25' ' ' VAL . 24.1 mm-40 -84.81 62.05 7.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 0.763 . . . . 0.0 110.352 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' B' ' 122' ' ' TYR . 47.9 t -156.69 60.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.648 ' C ' ' O ' ' A' ' 25' ' ' VAL . 3.0 m120 -16.37 101.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 8.2 t-20 -61.53 -18.7 60.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.222 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.73 70.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.558 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.3 OUTLIER -72.8 -47.25 48.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.596 1.185 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.881 HD11 ' HB2' ' A' ' 16' ' ' MET . 1.4 tp -55.44 -48.41 74.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.375 1.047 . . . . 0.0 109.247 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' ASN . . . -56.52 -33.98 66.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' ' NH1' ' B' ' 111' ' ' ARG . 3.2 m -52.99 -27.78 20.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.121 HD23 ' N ' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -71.58 -24.91 61.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 1.121 ' N ' HD23 ' A' ' 33' ' ' LEU . 39.7 mt-30 -72.12 -35.67 69.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HG2' ' HA ' ' A' ' 32' ' ' SER . 20.8 mm-40 -62.94 -32.05 73.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.965 HG11 ' HB2' ' B' ' 112' ' ' ALA . 7.7 p -89.95 -38.9 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.744 HD12 ' HE3' ' A' ' 16' ' ' MET . 7.7 mt -70.01 -38.47 75.95 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' GLN . 5.4 pt20 -91.78 4.23 53.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.697 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -63.32 142.43 58.39 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.534 1.146 . . . . 0.0 109.903 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -76.67 -38.96 53.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.374 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.711 ' CD2' ' N ' ' A' ' 42' ' ' PHE . 1.4 p90 -44.68 -34.52 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.802 ' HD1' HD21 ' B' ' 143' ' ' LEU . 0.1 OUTLIER -53.48 -34.54 58.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.186 . . . . 0.0 110.97 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' HA2' ' NH1' ' A' ' 46' ' ' ARG . . . -87.45 -24.7 35.5 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.11 -44.92 67.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 109.275 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.994 ' HB ' HD13 ' B' ' 143' ' ' LEU . 10.7 t -76.21 -41.55 37.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 109.339 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.422 ' NH1' ' HA2' ' A' ' 43' ' ' GLY . 1.1 tmm_? -56.19 -30.39 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -40.21 95.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.48 -42.84 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -53.62 -46.71 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.603 1.189 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.207 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.82 HG11 ' HB3' ' B' ' 144' ' ' LEU . 10.1 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' B' ' 114' ' ' GLU . 60.8 mt-30 -57.15 -25.85 59.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.261 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -47.78 -27.99 2.3 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.621 1.2 . . . . 0.0 110.329 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.965 ' HB2' HG11 ' A' ' 36' ' ' VAL . . . -61.13 -59.34 5.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -23.7 48.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 23.4 tt0 -49.09 -28.07 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.834 HG12 ' O ' ' B' ' 112' ' ' ALA . 7.5 p -57.7 -33.12 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.723 HD13 HG13 ' B' ' 115' ' ' VAL . 0.1 OUTLIER -58.67 -22.89 58.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.581 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.1 OUTLIER -61.29 -38.14 85.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 1.0 OUTLIER -82.52 -41.22 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.773 ' CD1' HG22 ' B' ' 115' ' ' VAL . 1.8 mp -61.19 -14.42 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -23.33 58.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.407 1.067 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 3.2 t -95.25 -30.82 13.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 108.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 1.187 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -90.47 132.39 35.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 123' ' ' PRO . . . . . 0.495 ' HD2' ' HD2' ' B' ' 122' ' ' TYR . 18.3 Cg_endo -75.1 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.447 1.762 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.866 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 0.3 OUTLIER -101.01 -173.26 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.412 ' C ' ' OE1' ' B' ' 124' ' ' GLU . 30.4 t-20 -114.76 127.79 55.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 28.4 t-20 -55.85 -21.65 21.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.167 . . . . 0.0 109.348 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.67 -54.16 50.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.231 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.762 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . . . -79.28 -41.4 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.606 ' HZ3' HG12 ' B' ' 119' ' ' ILE . 0.0 OUTLIER -58.76 -42.13 88.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 0.0 109.231 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.619 ' O ' HG23 ' B' ' 134' ' ' ILE . 4.4 tp10 -58.86 -26.33 64.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.905 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -71.4 -41.22 69.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.191 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 132' ' ' LYS . . . . . 0.914 ' HD2' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -71.34 -39.26 71.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.615 1.197 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -49.73 58.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 134' ' ' ILE . . . . . 0.905 HD11 HD13 ' B' ' 131' ' ' LEU . 2.7 pp -60.53 -21.72 23.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.969 HD23 HD12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -70.1 -7.85 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 136' ' ' THR . . . . . 0.441 ' HB ' ' HG3' ' B' ' 141' ' ' MET . 7.9 p -112.51 83.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 137' ' ' GLN . . . . . 0.426 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -114.81 173.68 2.77 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.5 Cg_endo -75.04 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 139' ' ' HIS . . . . . 0.418 ' CE1' ' CB ' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.52 -56.05 2.38 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 140' ' ' PHE . . . . . 0.8 ' CE2' ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -78.05 -70.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.912 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 141' ' ' MET . . . . . 0.686 ' HG2' HD12 ' B' ' 144' ' ' LEU . 0.0 OUTLIER -49.22 -39.75 31.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 142' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -53.53 -43.66 68.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.994 HD13 ' HB ' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -60.76 -34.05 73.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 144' ' ' LEU . . . . . 0.82 ' HB3' HG11 ' B' ' 109' ' ' VAL . 50.2 mt -59.35 -40.03 85.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -83.41 -8.88 59.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.649 1.218 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 56.8 m -95.09 -18.22 21.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.427 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' HIS . . . . . 0.405 ' O ' ' ND1' ' B' ' 147' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.639 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' ILE . 22.0 m-20 -72.16 -57.28 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.715 ' O ' HG22 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -43.49 -26.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.447 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.49 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -91.84 -43.17 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.399 1.062 . . . . 0.0 110.334 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -18.82 63.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.06 . . . . 0.0 110.403 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' B' ' 132' ' ' LYS . 4.6 tt -66.05 -33.68 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.36 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.993 HD13 ' HE3' ' A' ' 16' ' ' MET . 3.8 mm? -55.79 -21.14 17.78 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.465 1.103 . . . . 0.0 109.373 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.48 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 36.9 tt0 -86.45 -31.5 21.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.654 1.221 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.717 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.1 mm? -72.74 -52.32 15.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.993 ' HE3' HD13 ' A' ' 13' ' ' LEU . 2.1 ptp -66.6 -34.58 78.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 3.7 tt0 -72.76 -14.97 61.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.529 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.7 m80 -87.09 -34.95 18.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.587 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -70.94 -37.09 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.666 ' HA ' HG11 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -64.72 -4.16 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HG3' ' HA ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -77.86 7.19 6.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.406 1.066 . . . . 0.0 109.26 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.747 HG23 ' HG2' ' A' ' 24' ' ' GLU . 14.7 t -96.58 -24.91 15.81 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.622 1.201 . . . . 0.0 110.323 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.02 -47.57 2.94 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.747 ' HG2' HG23 ' A' ' 22' ' ' THR . 2.2 pm0 -72.97 62.74 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.397 0.704 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.721 ' O ' ' C ' ' A' ' 26' ' ' ASN . 11.2 p -172.86 52.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.331 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.721 ' C ' ' O ' ' A' ' 25' ' ' VAL . 5.0 m120 -0.86 104.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -62.54 -17.96 61.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.381 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.19 70.59 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.686 ' HG3' HG23 ' B' ' 115' ' ' VAL . 5.9 ptpp? -72.44 -39.23 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.809 ' HA ' HG21 ' B' ' 115' ' ' VAL . 1.1 tm? -55.18 -35.84 65.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.233 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLN . . . -71.21 -39.29 71.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.516 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -52.38 -22.68 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.815 HD21 ' CG ' ' B' ' 132' ' ' LYS . 35.1 tp -79.93 -27.71 39.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 15.0 mt-30 -75.22 -46.96 30.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.332 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 32' ' ' SER . 1.9 pp0? -58.79 -23.53 60.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.547 ' CG1' ' HA ' ' A' ' 33' ' ' LEU . 3.6 p -91.97 -37.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD13 HD12 ' A' ' 33' ' ' LEU . 3.6 mp -76.19 -39.45 54.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -85.18 4.67 33.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.688 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -62.05 143.28 56.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 41' ' ' PHE . 17.0 pt-20 -74.11 -46.57 41.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.688 ' CE1' ' CB ' ' A' ' 39' ' ' SER . 2.3 p90 -42.49 -36.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.956 ' CE2' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -53.81 -39.39 65.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' ARG . . . -86.15 -29.47 25.28 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.449 1.093 . . . . 0.0 111.051 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.63 -34.71 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.915 HG11 HD13 ' B' ' 143' ' ' LEU . 21.3 t -77.89 -47.94 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.22 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -55.33 -26.19 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 110.271 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.492 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.9 mt-10 -62.75 -44.68 95.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.252 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.2 t -68.26 -35.86 72.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.374 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -45.73 72.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.892 ' HB ' HD13 ' B' ' 144' ' ' LEU . 16.3 m . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.595 ' HA ' ' HZ2' ' B' ' 113' ' ' LYS . 7.1 tt0 -58.27 -34.08 70.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.9 -22.96 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.744 ' CA ' HD13 ' A' ' 33' ' ' LEU . . . -56.03 -61.23 2.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.203 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' LYS . . . . . 0.595 ' HZ2' ' HA ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -81.16 -32.07 33.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 8.9 tt0 -44.77 -29.09 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.357 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.809 HG21 ' HA ' ' A' ' 30' ' ' LEU . 2.7 p -60.28 -33.93 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.686 HD23 HG13 ' B' ' 115' ' ' VAL . 7.3 mt -60.89 -22.09 63.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -59.97 -38.22 81.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.431 ' N ' ' OE1' ' B' ' 117' ' ' GLU . 11.7 tp10 -81.84 -23.35 36.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.237 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.585 HD11 HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -77.97 -13.01 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 0.0 109.376 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -60.68 -29.99 69.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.6 t -88.45 -34.92 17.33 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.468 1.105 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.72 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -84.03 120.13 74.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 97.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.418 1.746 . . . . 0.0 111.086 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.667 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 4.2 pt-20 -110.44 -172.18 1.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -80.73 132.73 35.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.341 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 13.4 m-20 -65.97 -22.5 66.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.43 -36.65 57.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.582 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -70.02 -54.54 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.378 1.049 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 5.1 ptmt -62.73 -31.65 72.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 47.3 tt0 -63.68 -36.5 84.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.35 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.804 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -58.27 -41.04 83.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 132' ' ' LYS . . . . . 0.815 ' CG ' HD21 ' A' ' 33' ' ' LEU . 1.2 mmmt -72.76 -43.6 62.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.367 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -40.96 88.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 134' ' ' ILE . . . . . 0.804 HD11 HD13 ' B' ' 131' ' ' LEU . 2.5 pp -74.75 -18.81 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -68.29 -28.31 67.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 136' ' ' THR . . . . . 0.482 ' O ' ' OG1' ' B' ' 136' ' ' THR . 3.5 p -85.43 83.23 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.661 1.225 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 137' ' ' GLN . . . . . 0.531 ' HB3' ' CE1' ' B' ' 139' ' ' HIS . 0.3 OUTLIER -109.96 169.58 6.24 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.0 Cg_endo -75.05 0.48 8.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 139' ' ' HIS . . . . . 0.531 ' CE1' ' HB3' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.6 -55.76 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 140' ' ' PHE . . . . . 0.846 ' CE2' ' CZ ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -77.55 -67.75 0.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 141' ' ' MET . . . . . 0.43 ' HG3' ' HB ' ' B' ' 136' ' ' THR . 0.0 OUTLIER -50.63 -44.06 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 142' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -53.33 -41.55 65.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.383 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.915 HD13 HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -60.83 -34.87 75.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 144' ' ' LEU . . . . . 0.956 HD21 ' CE2' ' A' ' 42' ' ' PHE . 38.2 mt -59.8 -43.03 94.66 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.473 1.108 . . . . 0.0 109.202 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -78.67 -8.17 58.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.1 m -104.37 -18.79 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.044 . . . . 0.0 109.623 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 12' ' ' ILE . 8.5 m-20 -66.88 -39.67 87.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 12' ' ' ILE . 1.2 t -44.01 -28.05 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.379 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.417 ' HA ' HD23 ' A' ' 13' ' ' LEU . 4.0 mt-30 -94.73 -40.9 9.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 7.1 tpt180 -69.81 -19.0 63.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.751 HG23 HD22 ' A' ' 13' ' ' LEU . 3.6 tt -68.28 -37.51 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.757 HD13 ' CE ' ' A' ' 16' ' ' MET . 3.4 mm? -55.47 -20.51 12.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.648 1.218 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.461 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 25.8 tt0 -81.82 -46.48 14.11 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.63 1.207 . . . . 0.0 110.339 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.763 ' O ' HG13 ' A' ' 19' ' ' VAL . 2.5 mm? -57.49 -47.54 81.63 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.901 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.8 mtp -59.34 -45.97 89.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 1.2 tp10 -64.17 -15.42 59.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -87.53 -34.76 18.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 109.531 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -74.39 -33.19 32.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.644 ' HB3' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -70.45 -3.02 15.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 110.311 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 42.7 mtpt -76.45 0.72 18.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.785 HG21 ' CG ' ' B' ' 122' ' ' TYR . 6.3 t -92.38 -24.9 18.74 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.596 1.185 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.59 -44.17 3.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 122' ' ' TYR . 0.4 OUTLIER -77.91 62.95 2.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.44 0.729 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.719 ' O ' ' C ' ' A' ' 26' ' ' ASN . 7.6 p -170.95 56.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.395 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.719 ' C ' ' O ' ' A' ' 25' ' ' VAL . 4.9 m120 -1.56 102.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 1.081 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -62.62 -30.96 71.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.27 74.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.707 ' HZ1' HG23 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -70.75 -46.46 62.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.228 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.901 HD11 ' HB3' ' A' ' 16' ' ' MET . 1.4 tp -58.29 -31.75 67.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.254 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.06 88.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' HG12 ' A' ' 36' ' ' VAL . 49.4 m -53.31 -28.8 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.833 HD12 ' HB1' ' B' ' 112' ' ' ALA . 1.7 tp -69.89 -36.92 75.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.51 ' HG2' ' CE ' ' A' ' 16' ' ' MET . 30.7 mt-30 -68.23 -38.13 81.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 39' ' ' SER . 39.2 mm-40 -61.1 -29.89 70.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' B' ' 112' ' ' ALA . 2.3 p -90.44 -45.37 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.75 HD22 HD11 ' A' ' 33' ' ' LEU . 1.9 mp -67.45 -21.95 65.52 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 84.9 mt-30 -102.4 -2.71 28.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.576 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 40.2 t -66.97 142.13 57.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLY . 2.0 mp0 -74.69 -32.34 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -40.46 -30.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 110.976 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.854 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.2 OUTLIER -60.43 -42.25 95.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 111.058 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . -70.03 -42.19 68.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.067 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.64 -35.35 70.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.743 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.029 HG13 HD12 ' B' ' 143' ' ' LEU . 24.5 t -76.88 -49.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.424 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 2.7 ppt_? -64.11 -26.44 68.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -35.65 80.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.381 1.05 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.94 -29.57 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.335 1.022 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.631 ' CD2' HD21 ' B' ' 143' ' ' LEU . 1.9 t80 -66.78 -45.06 79.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.906 ' CG2' HD13 ' B' ' 144' ' ' LEU . 11.1 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.508 ' N ' HG13 ' B' ' 109' ' ' VAL . 5.7 tt0 -58.9 -22.39 59.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.523 ' O ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -62.19 -22.46 65.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.833 ' HB1' HD12 ' A' ' 33' ' ' LEU . . . -53.03 -61.35 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -74.07 -29.5 61.91 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.51 ' CB ' ' HA ' ' B' ' 111' ' ' ARG . 35.0 tt0 -46.18 -28.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.742 HG22 ' O ' ' B' ' 112' ' ' ALA . 17.0 m -60.91 -33.96 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.972 HD21 ' HB3' ' B' ' 132' ' ' LYS . 1.7 mm? -60.26 -21.8 62.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 9.0 pt-20 -59.66 -40.74 88.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.068 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.94 -29.54 35.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 110.182 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.651 HG23 ' HG3' ' B' ' 124' ' ' GLU . 0.5 OUTLIER -65.05 -15.98 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -24.64 65.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.1 t -95.9 -30.71 13.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 108.208 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.785 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -93.86 116.79 66.9 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 94.56 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.6 1.842 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.674 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -98.3 -174.19 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.443 ' HB3' ' CB ' ' B' ' 128' ' ' ALA . 54.6 t-20 -79.85 120.63 24.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' ASN . . . . . 0.563 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 49.6 m-80 -51.09 -30.12 15.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.365 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.04 -40.94 60.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' B' ' 125' ' ' ASN . . . -65.95 -54.48 25.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -64.45 -30.25 71.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.672 ' O ' HG23 ' B' ' 134' ' ' ILE . 8.8 tt0 -61.7 -27.52 68.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.935 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -70.1 -39.59 75.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.634 1.209 . . . . 0.0 109.366 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 132' ' ' LYS . . . . . 0.972 ' HB3' HD21 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -71.96 -38.92 69.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -70.0 -49.71 48.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' ILE . . . . . 0.935 HD11 HD13 ' B' ' 131' ' ' LEU . 2.6 pp -60.86 -18.8 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.638 1.211 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.684 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.86 -22.11 64.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.394 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 136' ' ' THR . . . . . 0.469 ' O ' ' OG1' ' B' ' 136' ' ' THR . 2.6 p -97.38 84.0 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 137' ' ' GLN . . . . . 0.573 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -111.94 -178.23 0.51 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' B' ' 137' ' ' GLN . 17.9 Cg_endo -75.06 -0.59 10.17 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.938 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 139' ' ' HIS . . . . . 0.543 ' O ' HD23 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -101.89 -56.62 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.574 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 140' ' ' PHE . . . . . 0.796 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.73 -74.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 141' ' ' MET . . . . . 0.641 ' HA ' ' HE3' ' B' ' 141' ' ' MET . 1.0 OUTLIER -46.5 -34.26 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 142' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -62.92 -43.54 98.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 1.029 HD12 HG13 ' A' ' 45' ' ' VAL . 1.5 mm? -67.14 -35.63 80.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 144' ' ' LEU . . . . . 0.906 HD13 ' CG2' ' B' ' 109' ' ' VAL . 9.9 mt -68.47 -36.71 79.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -91.63 -7.04 51.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 146' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' B' ' 142' ' ' ALA . 8.7 m -100.11 -14.99 18.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.38 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 147' ' ' HIS . . . . . 0.793 ' HD2' HG22 ' A' ' 45' ' ' VAL . 2.0 t-80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 12' ' ' ILE . 2.2 t0 -63.75 -19.02 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.591 ' C ' HG22 ' A' ' 12' ' ' ILE . 7.5 p -43.39 -27.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.188 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.428 ' N ' ' C ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -94.84 -42.91 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.27 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -71.24 -21.2 62.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.63 1.206 . . . . 0.0 110.248 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.836 HD12 HD23 ' B' ' 135' ' ' LEU . 4.8 tt -61.05 -33.67 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.961 HD13 ' HE1' ' A' ' 16' ' ' MET . 2.9 mm? -55.62 -18.31 7.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.503 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 23.2 tt0 -87.61 -31.03 20.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.637 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -68.25 -50.42 53.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.619 1.2 . . . . 0.0 109.262 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.961 ' HE1' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.86 -49.72 73.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 9.0 pt-20 -57.96 -19.04 27.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 1.6 m80 -81.25 -35.66 30.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.64 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 16' ' ' MET . 1.3 m -78.59 -35.6 18.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.689 ' HB3' HD13 ' A' ' 30' ' ' LEU . 6.4 pt20 -67.35 -3.21 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -74.88 -2.92 29.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.229 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.856 HG21 ' CE2' ' B' ' 122' ' ' TYR . 13.3 t -88.08 -19.74 26.66 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.155 . . . . 0.0 110.402 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.01 -48.92 1.77 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.851 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.7 OUTLIER -75.53 59.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 110.359 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.746 HG13 HG13 ' B' ' 119' ' ' ILE . 0.2 OUTLIER -157.18 49.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.587 1.18 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.702 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.5 m-80 -9.46 107.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.587 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 12.5 t30 -62.18 -18.15 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.12 -46.72 79.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.565 ' CG ' HG23 ' B' ' 115' ' ' VAL . 5.5 pttp -72.41 -43.29 64.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.123 ' O ' HD22 ' A' ' 33' ' ' LEU . 10.5 tt -67.53 -27.98 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.243 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 27' ' ' ASN . . . -72.42 -30.33 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.411 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -59.73 -45.79 91.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.988 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.157 HD23 ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -56.8 -24.18 48.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.382 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 1.157 ' N ' HD23 ' A' ' 33' ' ' LEU . 11.3 mt-30 -71.84 -35.85 70.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.799 ' HB2' HH21 ' B' ' 111' ' ' ARG . 42.9 mm-40 -60.34 -30.6 69.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 0.0 110.239 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.81 HG11 ' HB2' ' B' ' 112' ' ' ALA . 11.4 p -91.19 -38.21 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.768 HD22 ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -74.06 -19.14 60.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.25 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 34' ' ' GLN . 12.6 mm100 -107.99 13.67 25.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 42.2 t -91.79 141.07 29.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 42' ' ' PHE . 1.3 tp10 -74.94 -30.7 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.838 ' CZ ' HD22 ' B' ' 144' ' ' LEU . 0.3 OUTLIER -45.19 -21.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.985 ' CE2' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -71.31 -38.08 71.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.54 -28.45 29.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 111.005 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.05 85.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 41' ' ' PHE . 26.2 t -75.04 -39.76 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -30.24 63.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.26 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -46.53 78.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.385 1.053 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.38 -47.06 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.408 1.067 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.5 -44.31 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.4 1.062 . . . . 0.0 110.258 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.452 HG11 ' HB3' ' B' ' 144' ' ' LEU . 32.9 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -23.28 66.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.799 HH21 ' HB2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -57.76 -19.37 27.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.81 ' HB2' HG11 ' A' ' 36' ' ' VAL . . . -64.01 -56.29 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -79.09 -25.33 43.05 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 15.7 tt0 -50.26 -28.12 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.565 HG23 ' CG ' ' A' ' 29' ' ' LYS . 4.9 p -58.81 -33.99 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.367 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.482 HD21 ' HD3' ' B' ' 132' ' ' LYS . 1.5 mm? -56.7 -22.31 34.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.193 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.2 OUTLIER -59.18 -38.94 81.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.371 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.473 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 5.7 tp10 -81.99 -35.97 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.198 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.746 HG13 HG13 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -60.3 -16.14 11.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -23.46 63.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.86 -23.98 16.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.856 ' CE2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -101.9 121.73 49.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 111.051 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 95.57 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.428 1.751 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.723 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -98.23 -173.85 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.216 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.439 ' HB3' ' HB3' ' B' ' 128' ' ' ALA . 54.8 t-20 -87.7 123.44 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.184 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' ASN . . . . . 0.593 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 21.3 m120 -51.66 -31.41 25.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.51 -49.71 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' A' ' 15' ' ' LEU . . . -59.81 -46.48 89.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -72.88 -28.7 62.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.707 ' HG2' HG23 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -62.28 -34.47 76.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.877 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -59.94 -43.38 95.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.22 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 132' ' ' LYS . . . . . 0.977 ' HD2' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -69.25 -35.78 76.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 0.0 109.222 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 133' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' B' ' 133' ' ' ARG . 8.6 ttm105 -71.25 -49.12 46.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.175 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 134' ' ' ILE . . . . . 0.877 HD11 HD13 ' B' ' 131' ' ' LEU . 2.4 pp -61.75 -22.66 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.836 HD23 HD12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -70.4 -7.58 44.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 136' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' B' ' 136' ' ' THR . 6.0 p -108.74 85.01 2.02 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 137' ' ' GLN . . . . . 0.597 ' HB3' ' HD2' ' B' ' 138' ' ' PRO . 1.4 mm100 -112.95 175.47 1.84 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.633 1.208 . . . . 0.0 110.228 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.0 Cg_endo -75.06 -2.88 13.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 139' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' B' ' 137' ' ' GLN . 15.7 p80 -102.72 -50.67 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.66 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 140' ' ' PHE . . . . . 0.756 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.38 -72.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 141' ' ' MET . . . . . 0.578 ' HA ' ' HE3' ' B' ' 141' ' ' MET . 3.4 tpt -48.55 -26.82 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 142' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.73 -32.64 60.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.728 ' C ' HD12 ' B' ' 143' ' ' LEU . 0.2 OUTLIER -74.96 -35.33 62.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 144' ' ' LEU . . . . . 0.985 HD21 ' CE2' ' A' ' 42' ' ' PHE . 17.7 mt -60.22 -36.06 76.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.641 1.213 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -78.08 -15.23 59.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.189 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 88.6 m -95.13 -18.36 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' HIS . . . . . 0.543 ' O ' ' ND1' ' B' ' 147' ' ' HIS . 21.8 t-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.488 ' HB3' HD11 ' B' ' 131' ' ' LEU . 2.4 m-20 -71.97 -22.19 61.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.212 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.725 ' O ' HG22 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -50.4 -29.27 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.614 1.196 . . . . 0.0 109.231 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.672 ' HA ' HD23 ' A' ' 13' ' ' LEU . 2.9 mt-30 -91.95 -43.76 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -65.28 -19.64 66.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.344 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 9' ' ' VAL . 2.9 tt -69.11 -32.46 54.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.798 HD13 ' CE ' ' A' ' 16' ' ' MET . 3.6 mm? -59.63 -19.2 47.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 11.8 tt0 -83.23 -50.91 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.651 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.2 mt -59.14 -42.59 91.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.978 ' SD ' HD21 ' A' ' 33' ' ' LEU . 4.0 mtp -53.6 -49.13 68.46 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 20' ' ' GLN . 1.6 tt0 -70.85 -19.06 62.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.524 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.8 m80 -78.84 -35.95 43.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.678 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.837 HG11 ' OE1' ' B' ' 124' ' ' GLU . 4.8 m -79.46 -40.37 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.882 ' HB3' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.0 -3.67 5.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.163 . . . . 0.0 110.256 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.524 ' HG3' ' HA ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -68.63 -8.71 44.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 109.371 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.787 HG21 ' CG ' ' B' ' 122' ' ' TYR . 11.8 t -81.17 -23.36 38.27 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.378 1.048 . . . . 0.0 110.373 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.08 -41.93 3.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 61.54 0.79 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 0.719 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.707 ' O ' ' C ' ' A' ' 26' ' ' ASN . 2.2 p -171.67 57.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 25' ' ' VAL . 4.0 m120 -3.43 106.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' ALA . 3.2 p-10 -61.1 -26.01 67.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.44 83.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.893 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.3 OUTLIER -72.58 -39.18 67.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.343 1.027 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.882 HD22 ' HB3' ' A' ' 20' ' ' GLN . 4.5 tp -72.46 -30.88 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' HA ' ' HG3' ' A' ' 34' ' ' GLN . . . -62.73 -48.92 77.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.47 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 2.4 m -54.35 -28.92 46.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.058 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.978 HD21 ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -71.06 -26.88 63.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.653 1.221 . . . . 0.0 109.259 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.72 ' N ' HD23 ' A' ' 33' ' ' LEU . 19.4 mt-30 -75.17 -32.35 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 32' ' ' SER . 20.7 mm-40 -66.62 -45.03 80.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.004 HG11 ' HB2' ' B' ' 112' ' ' ALA . 7.2 p -71.85 -33.15 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.556 HD21 HD13 ' A' ' 12' ' ' ILE . 4.3 mp -78.72 -40.52 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 34' ' ' GLN . 63.8 mt-30 -86.99 7.98 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.72 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -70.33 139.56 52.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.024 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.99 -35.69 59.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.72 ' CE2' ' CB ' ' A' ' 39' ' ' SER . 1.6 p90 -49.93 -31.47 12.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.421 1.076 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.98 ' CE2' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -55.44 -47.59 75.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' HA2' ' CZ ' ' A' ' 46' ' ' ARG . . . -78.82 -32.53 40.36 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.558 1.162 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -68.82 -43.93 74.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.892 HG21 ' CD2' ' B' ' 147' ' ' HIS . 24.4 t -78.35 -33.39 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 3.7 tmm_? -68.22 -35.0 77.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -64.6 -24.91 67.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.466 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 88.6 t -67.87 -40.17 83.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -62.83 -46.63 87.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.527 HG23 ' N ' ' B' ' 110' ' ' GLN . 33.4 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.527 ' N ' HG23 ' B' ' 109' ' ' VAL . 20.0 pt20 -73.4 -34.61 65.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.175 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -53.68 -18.44 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.241 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 1.004 ' HB2' HG11 ' A' ' 36' ' ' VAL . . . -67.56 -51.83 45.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' LYS . . . . . 0.455 ' CD ' ' HA ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -83.11 -29.83 28.41 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 114' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 1.8 tt0 -45.83 -28.79 1.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.614 1.196 . . . . 0.0 110.234 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.893 HG23 ' HG3' ' A' ' 29' ' ' LYS . 7.3 p -58.91 -33.71 50.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.649 HD21 ' HB3' ' B' ' 132' ' ' LYS . 1.5 mm? -63.83 -22.56 66.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.388 1.055 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 1.1 pp20? -58.83 -39.5 81.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.465 ' O ' ' CD ' ' B' ' 118' ' ' GLU . 0.3 OUTLIER -80.41 -38.65 29.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.549 HD13 HD13 ' B' ' 116' ' ' LEU . 0.7 OUTLIER -57.35 -15.24 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 4.5 t -60.11 -26.19 66.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 3.5 t -94.82 -33.66 12.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 108.31 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.787 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -88.53 117.76 68.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.837 ' OE1' HG11 ' A' ' 19' ' ' VAL . 2.7 pt-20 -108.11 -174.3 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.472 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 33.0 t-20 -70.72 120.32 16.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' ASN . . . . . 0.498 ' HA ' ' CE ' ' B' ' 129' ' ' LYS . 6.0 m120 -56.32 -24.7 45.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -51.2 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.458 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -55.71 -54.27 46.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.498 ' CE ' ' HA ' ' B' ' 126' ' ' ASN . 1.5 ptpt -60.67 -27.03 67.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.454 ' O ' HG23 ' B' ' 134' ' ' ILE . 8.2 mt-10 -73.14 -31.68 64.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.716 HD13 HD11 ' B' ' 134' ' ' ILE . 0.1 OUTLIER -57.14 -40.56 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 132' ' ' LYS . . . . . 0.7 ' O ' HG23 ' B' ' 136' ' ' THR . 3.0 mmmt -73.32 -37.35 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.357 1.036 . . . . 0.0 109.352 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -67.76 -41.93 82.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 110.302 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' ILE . . . . . 0.716 HD11 HD13 ' B' ' 131' ' ' LEU . 2.0 pp -71.1 -25.4 25.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.708 ' N ' HD12 ' B' ' 134' ' ' ILE . 0.4 OUTLIER -68.62 -10.79 58.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 136' ' ' THR . . . . . 0.7 HG23 ' O ' ' B' ' 132' ' ' LYS . 10.9 p -105.85 82.75 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.37 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 137' ' ' GLN . . . . . 0.576 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -111.93 -177.5 0.45 Allowed Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' B' ' 137' ' ' GLN . 18.5 Cg_endo -74.95 -1.11 10.78 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.793 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -53.78 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.664 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 140' ' ' PHE . . . . . 0.813 ' HA ' HD23 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -78.41 -71.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 141' ' ' MET . . . . . 0.604 ' HA ' ' HE3' ' B' ' 141' ' ' MET . 6.0 tpt -49.53 -26.38 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 142' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.97 -35.06 59.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -66.66 -35.94 81.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.403 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 144' ' ' LEU . . . . . 0.98 HD21 ' CE2' ' A' ' 42' ' ' PHE . 10.1 mt -68.24 -37.09 80.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.602 1.189 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -77.01 -8.09 56.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 110.22 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.2 -5.57 13.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.395 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 147' ' ' HIS . . . . . 0.892 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.19 177.79 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.577 0.81 . . . . 0.0 109.942 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.744 HD12 ' HG ' ' A' ' 5' ' ' LEU . 1.3 pt? -59.24 137.34 58.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -71.02 -30.71 67.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.41 1.069 . . . . 0.0 109.199 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.744 ' HG ' HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -54.82 -45.35 74.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -62.6 -44.14 97.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -38.73 84.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 12' ' ' ILE . 1.2 m-20 -71.8 -20.59 61.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.842 HG22 HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -55.63 -30.09 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.15 -40.09 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -68.68 -19.07 64.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.895 HG23 HD22 ' A' ' 13' ' ' LEU . 8.6 tt -69.36 -35.3 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.199 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.895 HD22 HG23 ' A' ' 12' ' ' ILE . 2.9 mm? -62.01 -19.82 63.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 5.8 tt0 -80.25 -49.07 12.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.755 HD13 HD23 ' B' ' 131' ' ' LEU . 1.3 mt -62.15 -43.32 99.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.829 ' CE ' HD13 ' A' ' 13' ' ' LEU . 8.6 mtp -57.44 -46.49 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 1.1 tp10 -69.54 -16.8 63.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.229 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -84.85 -43.88 13.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.622 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.879 HG11 ' OE1' ' B' ' 124' ' ' GLU . 3.4 m -72.1 -30.52 36.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.718 ' HA ' HG11 ' A' ' 25' ' ' VAL . 3.8 pt20 -70.45 -1.69 11.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.229 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 17' ' ' GLU . 2.7 mmmt -82.44 8.41 11.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.837 HG21 ' CG ' ' B' ' 122' ' ' TYR . 9.2 t -91.58 -23.02 20.03 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 110.379 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.77 -45.51 3.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.083 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -78.86 63.07 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.387 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.722 ' O ' ' C ' ' A' ' 26' ' ' ASN . 12.2 p -170.14 43.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.722 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -0.16 108.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 12.2 p30 -60.49 -13.81 15.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.366 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.33 -52.55 61.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.704 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.5 OUTLIER -72.77 -44.7 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.815 HD21 ' HB3' ' A' ' 16' ' ' MET . 1.1 tm? -54.31 -47.94 71.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.24 -41.35 94.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -54.14 -34.08 59.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.932 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.893 HD13 ' HZ2' ' B' ' 132' ' ' LYS . 0.7 OUTLIER -68.31 -30.55 69.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.579 ' HA ' HD11 ' A' ' 13' ' ' LEU . 46.2 mt-30 -69.88 -37.84 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -60.8 -32.59 71.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.778 HG11 ' HB2' ' B' ' 112' ' ' ALA . 7.5 p -88.41 -38.32 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.842 HD13 HG22 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -68.49 -39.12 81.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -91.61 6.21 46.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.63 ' OG ' ' CE1' ' A' ' 41' ' ' PHE . 84.6 p -61.6 141.98 57.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.42 -33.0 58.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.637 ' C ' ' CD2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -53.98 -31.14 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.075 . . . . 0.0 110.987 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.09 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -57.66 -45.6 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.12 -36.73 30.66 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.12 93.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.698 HG11 HD13 ' B' ' 143' ' ' LEU . 35.8 t -77.35 -41.83 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 1.7 tmt_? -56.55 -29.35 61.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.46 -41.43 93.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.01 -44.38 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.47 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -51.21 -46.58 62.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -67.51 -38.29 84.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 m -61.54 -48.34 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.451 1.095 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 49' ' ' TYR . 12.0 p -66.37 -41.94 89.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.432 ' N ' ' OD2' ' B' ' 148' ' ' ASP . 28.7 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.04 -27.51 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.441 ' O ' ' NH1' ' B' ' 111' ' ' ARG . . . -65.36 -42.47 92.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.437 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.52 HG11 ' HB3' ' B' ' 144' ' ' LEU . 10.8 m -67.88 -39.66 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' B' ' 114' ' ' GLU . 4.1 tt0 -56.94 -33.11 66.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.546 ' C ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -57.49 -25.57 59.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.911 ' O ' HG12 ' B' ' 115' ' ' VAL . . . -62.86 -61.31 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -76.82 -20.14 56.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' B' ' 113' ' ' LYS . 60.8 tt0 -45.97 -36.5 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.979 HG13 HD23 ' B' ' 116' ' ' LEU . 2.5 p -59.18 -33.2 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.979 HD23 HG13 ' B' ' 115' ' ' VAL . 0.1 OUTLIER -66.15 -30.8 71.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' B' ' 118' ' ' GLU . 0.0 OUTLIER -59.33 -35.6 74.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 4.5 tp10 -82.16 -29.59 31.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.58 HD12 ' O ' ' B' ' 115' ' ' VAL . 1.0 OUTLIER -69.46 -12.69 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -59.1 -26.85 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.043 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 4.0 t -93.35 -38.01 11.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.837 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -81.82 117.4 68.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 111.009 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 96.15 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.879 ' OE1' HG11 ' A' ' 19' ' ' VAL . 3.2 pt-20 -110.63 -179.58 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 61.4 t-20 -61.72 115.48 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.468 ' HA ' ' CD ' ' B' ' 129' ' ' LYS . 16.1 p-10 -51.51 -26.24 8.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.71 -48.65 18.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.419 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.31 -54.53 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 1.1 ptpt -58.72 -29.48 66.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.465 ' O ' HG23 ' B' ' 134' ' ' ILE . 31.7 tt0 -72.77 -26.45 61.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.365 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.838 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -63.35 -41.92 98.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.893 ' HZ2' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -69.58 -33.3 72.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.89 -49.65 28.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ILE . . . . . 0.838 HD11 HD13 ' B' ' 131' ' ' LEU . 2.4 pp -63.64 -18.92 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.566 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.51 -8.5 41.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 136' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' B' ' 136' ' ' THR . 4.4 p -108.02 84.77 2.0 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.622 1.201 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.531 ' HB3' ' HD2' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -115.13 179.39 0.79 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.4 Cg_endo -74.99 -0.2 9.67 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 139' ' ' HIS . . . . . 0.41 ' ND1' ' HB2' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.88 -55.83 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.634 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 140' ' ' PHE . . . . . 0.826 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -78.24 -72.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 141' ' ' MET . . . . . 0.668 ' HE3' ' HA ' ' B' ' 141' ' ' MET . 3.5 tpt -48.18 -27.2 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.02 -34.2 61.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.829 HD21 ' HD1' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -73.68 -35.1 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 144' ' ' LEU . . . . . 1.09 HD21 ' CE1' ' A' ' 42' ' ' PHE . 21.6 mt -61.27 -40.2 93.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.633 ' O ' HG23 ' B' ' 149' ' ' VAL . 1.5 pt20 -76.82 -13.66 59.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -95.94 -13.94 23.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' HIS . . . . . 0.583 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -109.74 -31.81 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.613 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.488 ' HA ' ' HB3' ' B' ' 151' ' ' ALA . 1.5 t70 -65.99 -14.96 62.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 149' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 145' ' ' GLN . 56.5 t -60.07 -48.58 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.207 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 150' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' B' ' 154' ' ' VAL . 2.7 m -78.05 -39.95 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 151' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' B' ' 148' ' ' ASP . . . -53.31 -42.17 66.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 152' ' ' HIS . . . . . 0.663 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.1 OUTLIER -74.41 -31.22 62.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.596 1.185 . . . . 0.0 109.627 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -24.76 51.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' B' ' 150' ' ' VAL . 0.4 OUTLIER -48.91 -32.67 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.223 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 155' ' ' TYR . . . . . 0.663 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 7.8 p90 -115.41 35.48 4.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 156' ' ' SER . . . . . 0.446 ' C ' ' O ' ' B' ' 155' ' ' TYR . 31.5 m -35.29 120.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -49.16 114.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -11.7 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -121.42 -178.78 3.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.616 ' CD1' HD23 ' A' ' 5' ' ' LEU . 2.1 tp -58.77 97.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -125.92 17.67 7.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.224 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.921 HD21 ' NE2' ' B' ' 139' ' ' HIS . 0.6 OUTLIER -53.44 -38.53 63.62 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 36.9 tt0 -69.2 -37.59 78.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -44.49 52.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 9' ' ' VAL . 16.1 p30 -71.91 -19.2 61.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.213 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.048 HG22 ' CD1' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -44.88 -30.36 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.37 -44.82 7.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.475 1.109 . . . . 0.0 110.361 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -19.84 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.905 HD12 HD23 ' B' ' 135' ' ' LEU . 3.5 tt -65.32 -32.23 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' HA ' ' HE2' ' A' ' 16' ' ' MET . 1.1 mm? -66.89 -21.15 66.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.579 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 3.9 tt0 -80.39 -47.72 14.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.115 . . . . 0.0 110.235 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.681 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.4 mt -61.63 -34.52 75.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 1.03 ' CE ' HD12 ' A' ' 33' ' ' LEU . 6.5 mtm -66.97 -46.22 75.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.99 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 26.9 tt0 -65.42 -14.9 61.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.233 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -85.22 -39.72 17.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.514 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.862 HG11 ' OE1' ' B' ' 124' ' ' GLU . 5.0 m -71.38 -32.9 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 17' ' ' GLU . 10.9 pt20 -71.99 -3.2 21.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 110.308 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' HIS . 17.5 mmmt -69.32 -10.59 58.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.951 HG21 ' CD2' ' B' ' 122' ' ' TYR . 2.5 t -81.27 -22.38 38.69 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.71 -42.74 2.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.42 1.075 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.603 ' C ' HG12 ' A' ' 25' ' ' VAL . 1.3 tp10 -76.76 59.13 1.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 0.761 . . . . 0.0 110.38 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.883 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 1.6 m -161.92 44.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.717 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -0.14 109.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 16.8 p30 -60.93 -17.62 52.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -52.79 64.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.885 ' HG3' HG23 ' B' ' 115' ' ' VAL . 1.0 OUTLIER -74.34 -29.91 61.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 16' ' ' MET . 2.1 tm? -66.8 -48.83 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.84 -29.81 69.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.506 ' OG ' ' NH1' ' B' ' 111' ' ' ARG . 1.2 m -53.99 -22.94 11.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.945 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.03 HD12 ' CE ' ' A' ' 16' ' ' MET . 2.6 tm? -83.65 -41.97 17.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.07 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.627 ' O ' ' N ' ' A' ' 38' ' ' GLN . 64.3 mt-30 -54.15 -49.15 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 32' ' ' SER . 13.7 pt20 -54.89 -51.4 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.551 ' CG1' ' HA ' ' A' ' 33' ' ' LEU . 4.9 p -66.0 -47.07 86.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.048 ' CD1' HG22 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -65.01 -30.01 70.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.627 ' N ' ' O ' ' A' ' 34' ' ' GLN . 6.4 mm100 -94.6 13.81 22.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.617 ' OG ' ' CE2' ' A' ' 41' ' ' PHE . 59.9 p -83.29 146.94 28.26 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.897 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -75.27 -42.52 54.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.345 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -40.27 -37.73 0.69 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.375 1.047 . . . . 0.0 111.045 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.025 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -55.7 -42.83 75.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.625 1.203 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . -85.81 -36.06 10.77 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.538 1.149 . . . . 0.0 110.921 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.54 82.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.228 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.974 HG11 HD13 ' B' ' 143' ' ' LEU . 68.0 t -75.08 -40.7 44.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 4.7 tmm_? -60.97 -28.44 69.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 110.249 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -33.0 74.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 52' ' ' VAL . 64.0 t -68.44 -29.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -46.45 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.399 1.062 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.33 -45.78 75.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 m -61.41 -43.46 98.84 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.386 1.054 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 48' ' ' VAL . 54.1 t -67.5 -39.56 82.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 111.085 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.456 ' N ' ' OD1' ' B' ' 148' ' ' ASP . 60.5 p . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.77 -23.92 15.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.5 65.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.21 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.9 m -73.39 -39.08 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.401 ' HG2' ' CD ' ' B' ' 114' ' ' GLU . 8.0 tt0 -58.59 -33.7 70.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.389 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.507 ' HD3' ' O ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -52.46 -20.31 2.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 110.364 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.803 ' HB1' HD23 ' A' ' 33' ' ' LEU . . . -59.17 -60.22 4.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' LYS . . . . . 0.585 ' O ' HD22 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -81.98 -31.01 31.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 1.6 tt0 -42.8 -27.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.382 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.885 HG23 ' HG3' ' A' ' 29' ' ' LYS . 7.3 p -57.27 -34.8 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.585 HD22 ' O ' ' B' ' 113' ' ' LYS . 1.5 mm? -60.65 -20.98 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.385 1.053 . . . . 0.0 109.239 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -57.75 -38.36 75.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.43 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 18.3 tp10 -83.18 -34.45 25.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.433 ' HB ' ' HA ' ' B' ' 116' ' ' LEU . 1.2 mt -66.78 -14.9 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -24.42 65.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 t -95.23 -30.41 14.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.951 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -92.04 118.33 68.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.05 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.862 ' OE1' HG11 ' A' ' 19' ' ' VAL . 3.9 pt-20 -110.33 -178.95 3.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.468 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 60.8 t-20 -69.35 125.15 25.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.383 1.052 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 2.5 m-20 -59.64 -23.74 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.12 -49.8 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 1.181 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.455 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.51 -51.32 70.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -64.44 -28.98 70.04 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.483 1.115 . . . . 0.0 109.237 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.471 ' HG3' HG23 ' B' ' 134' ' ' ILE . 12.9 tt0 -66.16 -35.45 80.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.392 1.058 . . . . 0.0 110.196 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.88 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -60.84 -42.17 97.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.833 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -70.54 -33.33 71.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -49.3 26.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ILE . . . . . 0.88 HD11 HD13 ' B' ' 131' ' ' LEU . 2.6 pp -61.67 -18.87 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.365 1.041 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.905 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -69.14 -8.19 43.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 136' ' ' THR . . . . . 0.461 ' O ' ' OG1' ' B' ' 136' ' ' THR . 4.3 p -108.94 84.14 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.605 ' O ' ' HB3' ' B' ' 141' ' ' MET . 0.0 OUTLIER -110.62 175.14 2.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.396 1.06 . . . . 0.0 110.342 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.6 Cg_endo -74.8 -2.3 12.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.457 1.767 . . . . 0.0 111.035 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 139' ' ' HIS . . . . . 0.921 ' NE2' HD21 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -102.49 -53.26 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.623 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 140' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -77.47 -70.81 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.37 1.044 . . . . 0.0 110.945 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 141' ' ' MET . . . . . 0.605 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -48.3 -35.2 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -62.79 -36.1 82.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.974 HD13 HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -70.4 -35.45 73.46 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.355 1.034 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 144' ' ' LEU . . . . . 1.025 HD21 ' CE1' ' A' ' 42' ' ' PHE . 25.4 mt -59.23 -37.54 77.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.74 ' O ' HG23 ' B' ' 149' ' ' VAL . 37.2 tt0 -84.61 -10.63 57.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 84.9 m -95.77 -16.33 21.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' HIS . . . . . 0.737 ' O ' HG22 ' B' ' 150' ' ' VAL . 0.4 OUTLIER -109.47 -32.31 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' B' ' 106' ' ' SER . 4.7 t70 -66.47 -14.46 62.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 149' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 145' ' ' GLN . 71.8 t -60.11 -42.61 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 150' ' ' VAL . . . . . 0.737 HG22 ' O ' ' B' ' 147' ' ' HIS . 19.1 m -77.73 -34.84 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.73 82.09 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.476 1.11 . . . . 0.0 109.381 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 152' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.0 OUTLIER -71.0 -47.45 58.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 109.518 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -26.37 64.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 150' ' ' VAL . 1.5 t -58.1 -36.79 58.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 155' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 1.0 OUTLIER -100.71 -6.83 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 1.4 t -89.05 166.33 13.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.071 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -43.07 106.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.29 -11.48 58.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.95 173.94 8.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.53 89.88 5.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -125.18 -25.52 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.738 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -54.81 -32.82 60.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.815 ' O ' HG22 ' A' ' 9' ' ' VAL . 35.8 tt0 -61.83 -47.34 85.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -31.52 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.551 ' CG ' HD11 ' B' ' 131' ' ' LEU . 0.8 OUTLIER -59.71 -32.03 70.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.854 ' O ' HG22 ' A' ' 12' ' ' ILE . 11.5 m -43.03 -29.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.609 1.193 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.419 ' N ' ' C ' ' A' ' 8' ' ' ASP . 4.2 mt-30 -86.38 -40.19 15.66 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.332 1.02 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -73.28 -20.15 60.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.951 HD12 HD23 ' B' ' 135' ' ' LEU . 8.6 tt -65.98 -34.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.744 HD22 ' O ' ' A' ' 9' ' ' VAL . 1.3 mm? -70.41 -21.37 62.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.471 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 9.3 tt0 -75.07 -42.66 56.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.96 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.1 mt -72.88 -48.47 37.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.773 ' HB3' HD11 ' A' ' 30' ' ' LEU . 15.7 mtp -53.5 -47.09 70.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 9.6 pt-20 -70.61 -16.17 62.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.473 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.8 m80 -86.86 -35.51 18.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.564 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.96 HG13 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -71.44 -36.43 60.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.1 . . . . 0.0 109.402 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -71.05 -3.71 21.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.656 1.223 . . . . 0.0 110.325 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HA ' ' CE ' ' A' ' 21' ' ' LYS . 3.1 mmpt? -60.87 -13.57 16.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 1.224 HG21 ' CD1' ' B' ' 122' ' ' TYR . 10.7 t -79.77 -20.68 45.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.95 -40.63 2.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' H ' HG23 ' A' ' 22' ' ' THR . 13.9 mm-40 -80.99 61.03 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.382 0.696 . . . . 0.0 110.327 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.716 ' O ' ' C ' ' A' ' 26' ' ' ASN . 22.0 t -153.91 51.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.716 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.7 m-80 -3.74 102.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -62.25 -22.77 66.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.48 73.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.383 1.052 . . . . 0.0 109.343 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HE3' ' CB ' ' B' ' 118' ' ' GLU . 5.9 pttm -72.16 -43.82 64.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.167 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.773 HD11 ' HB3' ' A' ' 16' ' ' MET . 0.7 OUTLIER -54.85 -36.39 65.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.381 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HA ' ' CD ' ' A' ' 34' ' ' GLN . . . -73.76 -34.5 64.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.7 m -53.5 -27.27 24.62 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.624 1.202 . . . . 0.0 109.959 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.856 ' CD2' ' HB1' ' B' ' 112' ' ' ALA . 2.0 tm? -75.95 -41.95 49.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.732 ' CG ' HD12 ' A' ' 13' ' ' LEU . 3.9 mt-30 -61.26 -37.24 82.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -60.3 -33.26 72.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.734 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 3.5 p -90.29 -46.22 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.416 1.073 . . . . 0.0 109.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.804 ' HG ' HD11 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -58.78 -26.34 63.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.235 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 4.2 mt-30 -107.07 13.55 27.33 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.626 1.203 . . . . 0.0 110.335 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -84.66 149.84 25.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 109.931 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -74.9 -32.16 61.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.99 ' CZ ' HD22 ' B' ' 144' ' ' LEU . 0.3 OUTLIER -49.48 -21.21 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.629 1.206 . . . . 0.0 111.076 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.25 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -82.41 -41.75 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 111.027 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.01 -34.78 13.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.18 94.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' B' ' 147' ' ' HIS . 38.4 t -78.17 -43.83 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 4.3 tmm_? -57.92 -28.14 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.201 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.66 -38.78 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -66.49 -29.97 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.14 -46.59 70.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -67.77 -45.89 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -59.93 -47.53 85.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.3 t -65.85 -40.61 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.6 t80 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 179.883 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.574 ' N ' ' HE2' ' B' ' 152' ' ' HIS . 30.0 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -12.38 41.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.211 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.504 ' O ' ' NH1' ' B' ' 111' ' ' ARG . . . -62.58 -39.09 92.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.543 HG12 ' O ' ' B' ' 106' ' ' SER . 2.5 p -86.38 -32.03 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.456 ' O ' ' HD3' ' B' ' 113' ' ' LYS . 56.9 mt-30 -56.33 -25.62 49.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.226 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.513 ' HD3' ' N ' ' B' ' 112' ' ' ALA . 0.0 OUTLIER -51.65 -18.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.856 ' HB1' ' CD2' ' A' ' 33' ' ' LEU . . . -66.56 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 0.0 109.24 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -77.92 -24.33 48.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.375 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 11.6 tt0 -46.79 -28.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 110.255 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.508 HG22 ' HZ1' ' B' ' 132' ' ' LYS . 6.0 m -58.61 -34.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.241 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' B' ' 113' ' ' LYS . 0.8 OUTLIER -60.86 -22.13 63.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.2 OUTLIER -61.12 -38.06 85.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.45 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -82.43 -36.48 26.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.516 ' O ' ' O ' ' B' ' 122' ' ' TYR . 1.0 OUTLIER -63.2 -13.34 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.65 1.219 . . . . 0.0 109.379 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 4.3 m -60.52 -28.36 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.089 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.34 -37.9 14.55 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.157 . . . . 0.0 108.229 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 1.224 ' CD1' HG21 ' A' ' 22' ' ' THR . 0.4 OUTLIER -83.71 130.45 55.59 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 94.34 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 0.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.682 ' HB3' ' CE2' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -99.34 -175.97 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.454 ' N ' ' HG2' ' B' ' 124' ' ' GLU . 64.6 t-20 -97.1 118.97 34.7 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 109.206 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' B' ' 130' ' ' GLU . 32.2 m120 -49.96 -26.83 4.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.548 1.155 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -75.22 -50.74 15.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.883 ' HA ' HD22 ' A' ' 15' ' ' LEU . . . -61.2 -45.58 93.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.416 ' HB3' ' CG ' ' B' ' 124' ' ' GLU . 3.8 ptmt -71.46 -25.63 62.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.699 ' O ' HG23 ' B' ' 134' ' ' ILE . 2.6 mt-10 -61.14 -36.91 81.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.195 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.551 HD11 ' CG ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -60.06 -44.04 95.0 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.479 1.112 . . . . 0.0 109.237 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.944 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.0 -40.25 60.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -65.39 -40.02 92.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 110.276 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ILE . . . . . 0.699 HG23 ' O ' ' B' ' 130' ' ' GLU . 2.3 pp -75.38 -16.28 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.395 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.951 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -67.69 -14.44 62.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.198 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 136' ' ' THR . . . . . 0.488 ' O ' ' OG1' ' B' ' 136' ' ' THR . 2.9 p -103.51 83.42 2.16 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.558 ' O ' ' HB3' ' B' ' 141' ' ' MET . 0.0 OUTLIER -113.39 176.18 1.58 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.0 Cg_endo -75.02 -1.82 11.73 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -54.04 2.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 0.0 109.627 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 140' ' ' PHE . . . . . 0.958 ' HA ' HD23 ' B' ' 143' ' ' LEU . 0.1 OUTLIER -76.81 -70.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 141' ' ' MET . . . . . 0.676 ' HE3' HD12 ' B' ' 144' ' ' LEU . 4.6 tpt -49.79 -26.41 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 111.069 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -76.65 -33.76 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.616 1.198 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.958 HD23 ' HA ' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -69.89 -35.38 74.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 144' ' ' LEU . . . . . 1.25 HD21 ' CE1' ' A' ' 42' ' ' PHE . 11.9 mt -69.0 -37.43 78.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.621 ' O ' HG23 ' B' ' 149' ' ' VAL . 50.4 tt0 -72.17 -8.17 53.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 72.4 m -99.15 -17.44 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.588 1.18 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' HIS . . . . . 0.702 ' HB2' HG21 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -110.24 -32.18 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.065 . . . . 0.0 109.582 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' B' ' 151' ' ' ALA . 3.6 p-10 -65.12 -15.01 61.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 149' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 145' ' ' GLN . 40.0 t -62.13 -39.33 83.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 150' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' B' ' 154' ' ' VAL . 99.6 t -62.94 -34.24 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.373 1.046 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 151' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' B' ' 148' ' ' ASP . . . -54.54 -36.94 64.84 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.546 1.154 . . . . 0.0 109.217 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 152' ' ' HIS . . . . . 0.612 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 17.8 m80 -70.97 -48.67 52.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.528 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.35 -25.36 65.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' B' ' 150' ' ' VAL . 1.0 OUTLIER -58.11 -36.07 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.203 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 155' ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 1.1 p90 -102.34 -4.91 24.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.85 165.45 12.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 109.953 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -45.38 106.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -82.54 -11.51 58.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.17 -178.97 4.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.598 0.822 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 tp -84.67 90.1 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.7 OUTLIER -124.99 16.74 8.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.686 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -53.4 -34.4 57.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 27.6 tt0 -62.78 -49.22 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.234 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -74.42 -34.04 63.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 110.337 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.562 ' O ' ' N ' ' A' ' 12' ' ' ILE . 1.1 m-20 -64.97 -33.34 75.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.992 HG22 ' CD1' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -44.1 -32.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.543 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.24 -38.31 11.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.243 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -25.78 64.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.361 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.024 HD12 HD23 ' B' ' 135' ' ' LEU . 4.7 tt -59.1 -40.28 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.735 HD12 ' HG2' ' A' ' 34' ' ' GLN . 2.8 mm? -57.48 -22.65 45.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 17.0 tt0 -88.43 -38.74 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.773 HD23 ' HG ' ' B' ' 131' ' ' LEU . 1.4 mm? -64.24 -53.46 48.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 1.075 ' CE ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -65.02 -34.6 78.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 3.1 tt0 -69.91 -18.18 63.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 4.6 m80 -84.42 -30.24 25.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.609 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.667 ' O ' ' CE1' ' B' ' 122' ' ' TYR . 0.9 OUTLIER -78.34 -37.27 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.238 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.83 -4.69 25.47 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.588 1.18 . . . . 0.0 110.271 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -70.16 -7.15 39.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 1.102 HG21 ' CD2' ' B' ' 122' ' ' TYR . 1.8 t -83.74 -20.11 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.47 -45.42 2.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 25' ' ' VAL . 4.3 tp10 -80.12 61.38 3.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.414 0.714 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.715 ' O ' ' C ' ' A' ' 26' ' ' ASN . 2.5 t -154.25 46.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.715 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.8 m120 -2.69 104.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 8.8 p-10 -61.35 -13.99 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.23 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.74 30.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.833 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.0 OUTLIER -76.57 -40.95 48.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.802 HD23 HG21 ' B' ' 115' ' ' VAL . 0.5 OUTLIER -57.72 -45.25 86.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HA ' ' HG3' ' A' ' 34' ' ' GLN . . . -72.39 -33.97 67.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB3' ' NE ' ' B' ' 111' ' ' ARG . 28.4 m -53.65 -29.59 39.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.922 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.075 HD12 ' CE ' ' A' ' 16' ' ' MET . 1.6 tm? -65.29 -30.69 71.57 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.162 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.735 ' HG2' HD12 ' A' ' 13' ' ' LEU . 22.5 mt-30 -68.25 -46.05 71.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -54.8 -27.73 43.94 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 33' ' ' LEU . 7.5 p -93.72 -47.15 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.013 HD23 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.99 -42.68 99.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -88.67 13.19 12.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.541 1.151 . . . . 0.0 110.259 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.633 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -75.47 150.02 38.34 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.139 . . . . 0.0 109.97 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.71 -32.68 62.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.731 ' CD1' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -49.84 -44.22 49.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.378 1.049 . . . . 0.0 110.999 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.827 ' CZ ' ' CE1' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -54.62 -46.55 73.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.92 -35.15 31.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 0.0 110.956 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.7 86.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.756 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.106 HG11 HD13 ' B' ' 143' ' ' LEU . 2.6 t -76.88 -42.11 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 5.9 tpt180 -56.71 -29.48 62.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.195 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -41.87 95.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.72 -50.32 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' O ' HG12 ' A' ' 52' ' ' VAL . 1.1 m-85 -51.62 -46.74 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.28 -39.46 82.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.503 1.127 . . . . 0.0 110.234 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 m -63.92 -48.44 76.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 49' ' ' TYR . 4.1 p -67.04 -39.17 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 109.214 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.4 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.34 -38.02 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.438 ' O ' ' NH1' ' B' ' 111' ' ' ARG . . . -68.61 -43.74 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.231 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.991 ' CG1' HD13 ' B' ' 144' ' ' LEU . 97.9 t -70.28 -33.26 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -57.19 -32.95 66.99 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.527 ' C ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -51.75 -20.62 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.609 1.193 . . . . 0.0 110.339 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.744 ' O ' HG12 ' B' ' 115' ' ' VAL . . . -60.18 -62.37 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.609 1.193 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' LYS . . . . . 0.415 ' H ' ' CD ' ' B' ' 113' ' ' LYS . 0.0 OUTLIER -81.19 -26.18 36.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 8.4 tt0 -44.23 -27.6 0.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.833 HG23 ' HG3' ' A' ' 29' ' ' LYS . 5.9 p -57.4 -34.18 45.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.191 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -58.14 -23.1 53.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -64.99 -35.46 81.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 0.1 OUTLIER -81.57 -34.4 31.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.626 HG13 HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -69.07 -14.89 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.414 1.071 . . . . 0.0 109.238 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.4 t -60.07 -27.22 66.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.35 -37.6 12.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 108.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 1.102 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.5 OUTLIER -83.25 121.06 76.77 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 96.54 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.405 1.74 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.788 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 2.4 pt-20 -110.8 -172.45 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -85.29 137.28 33.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.489 ' HA ' ' CD ' ' B' ' 129' ' ' LYS . 15.7 m-20 -67.96 -21.53 65.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -48.35 35.35 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.551 1.157 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.631 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.59 -55.03 39.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 8.4 ptmt -60.09 -27.48 67.03 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.835 ' O ' HG23 ' B' ' 134' ' ' ILE . 0.9 OUTLIER -61.99 -31.37 71.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.222 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.888 HD12 ' HB ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.04 -46.69 70.44 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.15 . . . . 0.0 109.211 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.654 ' NZ ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -70.45 -32.35 69.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.169 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -49.53 17.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ILE . . . . . 0.835 HG23 ' O ' ' B' ' 130' ' ' GLU . 2.3 pp -63.32 -19.02 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.593 1.183 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 1.024 HD23 HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -68.79 -11.26 60.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.399 1.062 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 136' ' ' THR . . . . . 0.478 ' HA ' ' HG3' ' B' ' 141' ' ' MET . 7.2 p -106.17 84.49 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.408 ' CB ' ' CE1' ' B' ' 139' ' ' HIS . 0.0 OUTLIER -115.72 172.3 3.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.531 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.2 Cg_endo -74.92 -1.53 11.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.536 1.808 . . . . 0.0 111.054 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 139' ' ' HIS . . . . . 0.415 ' NE2' ' HD2' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -102.03 -56.39 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.546 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 140' ' ' PHE . . . . . 0.827 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -77.13 -68.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.082 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 141' ' ' MET . . . . . 0.561 ' HG2' HD12 ' B' ' 144' ' ' LEU . 0.0 OUTLIER -49.67 -44.13 47.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.367 1.042 . . . . 0.0 111.01 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -52.24 -37.12 54.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 1.106 HD13 HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -61.27 -34.57 75.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 144' ' ' LEU . . . . . 0.991 HD13 ' CG1' ' B' ' 109' ' ' VAL . 23.8 mt -60.81 -42.45 97.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.559 ' O ' HG23 ' B' ' 149' ' ' VAL . 23.6 tt0 -72.68 -8.98 57.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 110.338 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 22.4 m -105.13 -17.47 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.39 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 1.6 t-80 -105.29 -35.62 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.61 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.509 ' O ' ' CE1' ' B' ' 152' ' ' HIS . 3.4 p-10 -64.93 -18.84 65.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 149' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 145' ' ' GLN . 39.4 t -66.67 -36.55 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.408 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 150' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' B' ' 154' ' ' VAL . 61.6 t -63.01 -33.15 59.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 151' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' B' ' 148' ' ' ASP . . . -52.51 -41.0 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 152' ' ' HIS . . . . . 0.698 ' O ' ' CD1' ' B' ' 155' ' ' TYR . 3.9 m80 -74.33 -31.6 62.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 153' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 150' ' ' VAL . 0.0 OUTLIER -77.2 -26.65 53.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' B' ' 150' ' ' VAL . 0.4 OUTLIER -48.73 -36.21 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 155' ' ' TYR . . . . . 0.713 ' CD2' ' O ' ' B' ' 155' ' ' TYR . 7.4 p90 -108.02 35.0 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 156' ' ' SER . . . . . 0.458 ' C ' ' O ' ' B' ' 155' ' ' TYR . 62.8 m -35.14 118.92 0.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -47.42 113.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.77 -11.35 3.1 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -100.87 -175.23 2.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.508 HD13 HD23 ' A' ' 5' ' ' LEU . 3.5 pp -54.31 152.22 6.57 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -125.22 17.69 8.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.304 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.897 HD21 ' CE1' ' B' ' 139' ' ' HIS . 0.2 OUTLIER -53.84 -31.73 50.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.069 . . . . 0.0 109.233 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 38.6 tt0 -67.25 -49.53 64.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 110.271 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 4' ' ' ASN . 19.5 ptt85 -76.41 -35.1 58.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -59.97 -28.73 67.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.078 . . . . 0.0 109.295 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.909 HG22 HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -44.52 -30.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.374 1.046 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.533 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.04 -38.87 12.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.391 1.057 . . . . 0.0 110.252 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -26.46 64.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.364 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.867 HD11 ' HA ' ' B' ' 132' ' ' LYS . 5.0 tt -60.78 -33.64 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.714 HD13 ' HE1' ' A' ' 16' ' ' MET . 3.9 mm? -55.49 -20.82 13.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.339 1.024 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' CG ' ' CE1' ' A' ' 18' ' ' HIS . 17.7 tt0 -87.87 -40.38 14.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.646 ' O ' HG13 ' A' ' 19' ' ' VAL . 2.2 mm? -54.97 -45.99 75.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.907 ' HB3' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -64.01 -47.7 79.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 15.4 tt0 -59.34 -16.05 20.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.257 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.445 ' CE1' ' CG ' ' A' ' 14' ' ' GLU . 1.7 m80 -85.53 -33.72 21.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 109.656 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -78.16 -34.1 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.512 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -70.14 -3.04 14.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.352 1.032 . . . . 0.0 110.351 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 9.7 mtpp -73.24 -8.7 56.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.976 HG21 ' CD2' ' B' ' 122' ' ' TYR . 0.8 OUTLIER -84.25 -24.42 29.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.383 1.052 . . . . 0.0 110.381 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.63 -42.52 2.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.516 ' H ' HG23 ' A' ' 22' ' ' THR . 0.6 OUTLIER -76.54 61.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.356 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.881 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -171.13 59.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.247 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.712 ' C ' ' O ' ' A' ' 25' ' ' VAL . 4.1 m120 -6.23 115.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.225 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.11 -17.2 61.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.34 -52.21 65.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.37 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.947 ' HG3' HG23 ' B' ' 115' ' ' VAL . 6.5 ptmt -68.2 -41.26 81.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.907 HD21 ' HB3' ' A' ' 16' ' ' MET . 2.9 tm? -54.99 -34.08 63.11 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.563 1.164 . . . . 0.0 109.178 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.72 -29.68 63.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.61 1.193 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.485 ' OG ' ' NH1' ' B' ' 111' ' ' ARG . 14.8 m -54.77 -46.33 74.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.063 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -60.44 -31.02 70.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.367 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.688 HE21 HD12 ' A' ' 13' ' ' LEU . 18.3 mt-30 -69.3 -37.79 77.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.472 ' O ' ' OG ' ' A' ' 39' ' ' SER . 5.3 mt-30 -63.92 -27.01 68.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.733 HG11 ' HB2' ' B' ' 112' ' ' ALA . 4.1 p -91.65 -40.05 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.909 HD13 HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -73.66 -32.22 63.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.249 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' GLN . 86.9 mt-30 -86.46 14.06 7.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 35' ' ' GLN . 39.5 m -94.12 139.51 30.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.023 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 42' ' ' PHE . 24.8 pt-20 -74.63 -31.85 62.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' HB2' ' CD2' ' B' ' 147' ' ' HIS . 0.3 OUTLIER -46.06 -21.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.765 ' CE1' ' CE2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -70.77 -42.63 70.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.387 1.055 . . . . 0.0 110.906 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.15 -14.4 66.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.62 70.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.973 ' HB ' HD13 ' B' ' 143' ' ' LEU . 4.7 t -78.71 -39.12 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.399 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HD2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -56.12 -31.87 63.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 0.0 110.404 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.74 -39.24 90.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.249 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.8 -43.13 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.426 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 2.8 m-85 -51.34 -45.51 62.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.43 ' CD ' ' NH2' ' A' ' 46' ' ' ARG . 37.5 tt0 -67.79 -45.36 75.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.626 1.204 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -60.28 -47.82 84.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.18 -44.17 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 89.7 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.563 1.165 . . . . 0.0 110.935 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -87.06 -28.65 22.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.72 -38.92 80.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.909 ' HB ' HD13 ' B' ' 144' ' ' LEU . 18.2 m -76.86 -38.97 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 114' ' ' GLU . 5.9 tt0 -59.18 -34.52 72.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -53.07 -19.21 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.804 ' HB1' HD23 ' A' ' 33' ' ' LEU . . . -56.92 -61.46 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' LYS . . . . . 0.73 ' HB3' HG21 ' B' ' 136' ' ' THR . 0.0 OUTLIER -83.23 -29.88 28.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 5.0 tt0 -45.9 -28.72 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.947 HG23 ' HG3' ' A' ' 29' ' ' LYS . 12.0 p -60.08 -33.88 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.8 HD22 HG13 ' B' ' 115' ' ' VAL . 2.1 mm? -59.39 -21.21 59.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 1.0 OUTLIER -58.77 -39.33 80.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.415 ' CD ' ' OE2' ' B' ' 117' ' ' GLU . 3.0 tp10 -81.14 -35.69 31.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.406 ' O ' ' O ' ' B' ' 122' ' ' TYR . 0.9 OUTLIER -67.76 -15.61 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.426 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 19.1 m -60.96 -24.37 66.03 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.474 1.109 . . . . 0.0 110.054 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 6.0 t -93.87 -34.67 13.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.183 . . . . 0.0 108.365 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.976 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.76 118.9 70.85 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 111.019 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 94.06 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.622 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -106.4 -173.6 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' B' ' 124' ' ' GLU . 4.8 t-20 -77.04 118.07 19.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.199 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.581 ' HA ' ' HG2' ' B' ' 129' ' ' LYS . 9.8 p30 -57.94 -22.68 50.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 130' ' ' GLU . 0.5 OUTLIER -67.86 -48.04 67.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 15' ' ' LEU . . . -74.85 -33.29 62.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.413 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.581 ' HG2' ' HA ' ' B' ' 126' ' ' ASN . 0.5 OUTLIER -71.25 -46.85 60.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.407 1.067 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' B' ' 126' ' ' ASN . 10.4 pt-20 -61.28 -27.31 68.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.551 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -58.89 -44.8 91.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.867 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -72.66 -42.18 64.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ARG . . . . . 0.403 ' HB3' ' HA ' ' B' ' 130' ' ' GLU . 0.0 OUTLIER -56.69 -48.63 77.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.221 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ILE . . . . . 0.551 HD11 HD13 ' B' ' 131' ' ' LEU . 2.7 pp -67.9 -22.68 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.672 HD23 HD12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -69.3 -11.05 60.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.332 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 136' ' ' THR . . . . . 0.73 HG21 ' HB3' ' B' ' 113' ' ' LYS . 17.1 p -108.75 83.92 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.464 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.557 ' HB2' ' CD2' ' B' ' 139' ' ' HIS . 0.0 OUTLIER -113.81 173.95 2.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.1 Cg_endo -75.06 -3.13 13.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.569 1.826 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 139' ' ' HIS . . . . . 0.897 ' CE1' HD21 ' A' ' 5' ' ' LEU . 21.4 p80 -101.5 -55.94 2.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.611 1.195 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 140' ' ' PHE . . . . . 0.765 ' CE2' ' CE1' ' A' ' 42' ' ' PHE . 5.6 t80 -74.89 -67.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.623 1.202 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 141' ' ' MET . . . . . 0.683 ' HE3' HD11 ' B' ' 144' ' ' LEU . 0.0 OUTLIER -50.59 -27.2 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.981 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -77.72 -34.01 52.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.973 HD13 ' HB ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -67.31 -46.46 73.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 144' ' ' LEU . . . . . 0.909 HD13 ' HB ' ' B' ' 109' ' ' VAL . 3.1 pp -64.31 -35.36 80.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.9 ' N ' HD12 ' B' ' 144' ' ' LEU . 37.6 tt0 -71.38 -16.09 62.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 18.2 m -102.49 -6.61 22.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 1.8 t-80 -111.02 -25.28 9.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.643 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.458 ' HA ' ' HB3' ' B' ' 151' ' ' ALA . 0.5 OUTLIER -65.35 -14.1 60.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.217 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 26.2 t -60.19 -47.3 92.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' B' ' 154' ' ' VAL . 1.5 p -78.9 -40.97 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.409 1.068 . . . . 0.0 109.205 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 151' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' B' ' 148' ' ' ASP . . . -52.19 -41.29 62.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 152' ' ' HIS . . . . . 0.668 ' O ' ' CD1' ' B' ' 155' ' ' TYR . 0.0 OUTLIER -74.57 -31.26 62.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 0.0 109.652 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 153' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 150' ' ' VAL . 0.1 OUTLIER -77.13 -24.87 51.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' B' ' 150' ' ' VAL . 0.3 OUTLIER -48.22 -32.56 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 155' ' ' TYR . . . . . 0.685 ' CD2' ' O ' ' B' ' 155' ' ' TYR . 9.2 p90 -114.41 35.13 4.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 156' ' ' SER . . . . . 0.439 ' C ' ' O ' ' B' ' 155' ' ' TYR . 17.0 p -36.21 117.11 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -44.54 113.01 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -58.78 -11.95 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.319 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 4' ' ' ASN . 17.2 m -92.4 -177.4 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 0.734 . . . . 0.0 109.921 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.95 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.384 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 2' ' ' SER . 9.5 p30 -128.12 4.69 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.519 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -55.17 -32.8 62.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -63.07 -48.54 78.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -75.2 -38.23 60.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -72.9 -22.21 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.656 ' O ' HG22 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -49.39 -28.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.377 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -93.92 -44.43 8.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -20.04 65.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.222 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.969 HD12 HD23 ' B' ' 135' ' ' LEU . 0.9 OUTLIER -65.32 -36.32 77.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.972 HD13 ' CE ' ' A' ' 16' ' ' MET . 2.2 mm? -53.59 -21.29 6.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.514 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 23.9 tt0 -90.17 -30.8 17.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.236 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.86 ' HG ' HD23 ' B' ' 131' ' ' LEU . 1.5 mm? -66.81 -55.49 14.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.988 ' HE2' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -68.09 -33.05 73.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 1.7 tt0 -73.7 -17.82 61.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.514 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 2.4 m80 -84.11 -33.34 24.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.679 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.762 ' CG1' ' HB3' ' B' ' 128' ' ' ALA . 16.3 m -77.45 -35.72 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.66 ' CB ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -70.41 -4.06 20.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.073 . . . . 0.0 110.355 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.8 OUTLIER -73.55 -1.05 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 1.187 HG21 ' CD2' ' B' ' 122' ' ' TYR . 4.4 t -78.77 -15.38 58.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.549 1.156 . . . . 0.0 110.449 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.96 -45.25 2.31 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.426 1.079 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.511 ' C ' HG23 ' A' ' 25' ' ' VAL . 24.1 mm-40 -84.81 62.05 7.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 0.763 . . . . 0.0 110.352 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' B' ' 122' ' ' TYR . 47.9 t -156.69 60.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.648 ' C ' ' O ' ' A' ' 25' ' ' VAL . 3.0 m120 -16.37 101.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 8.2 t-20 -61.53 -18.7 60.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.222 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.73 70.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.558 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.3 OUTLIER -72.8 -47.25 48.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.596 1.185 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.881 HD11 ' HB2' ' A' ' 16' ' ' MET . 1.4 tp -55.44 -48.41 74.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.375 1.047 . . . . 0.0 109.247 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' ASN . . . -56.52 -33.98 66.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' ' NH1' ' B' ' 111' ' ' ARG . 3.2 m -52.99 -27.78 20.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.121 HD23 ' N ' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -71.58 -24.91 61.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 1.121 ' N ' HD23 ' A' ' 33' ' ' LEU . 39.7 mt-30 -72.12 -35.67 69.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HG2' ' HA ' ' A' ' 32' ' ' SER . 20.8 mm-40 -62.94 -32.05 73.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.965 HG11 ' HB2' ' B' ' 112' ' ' ALA . 7.7 p -89.95 -38.9 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.744 HD12 ' HE3' ' A' ' 16' ' ' MET . 7.7 mt -70.01 -38.47 75.95 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' GLN . 5.4 pt20 -91.78 4.23 53.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.697 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -63.32 142.43 58.39 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.534 1.146 . . . . 0.0 109.903 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -76.67 -38.96 53.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.374 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.711 ' CD2' ' N ' ' A' ' 42' ' ' PHE . 1.4 p90 -44.68 -34.52 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.802 ' HD1' HD21 ' B' ' 143' ' ' LEU . 0.1 OUTLIER -53.48 -34.54 58.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.186 . . . . 0.0 110.97 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' HA2' ' NH1' ' A' ' 46' ' ' ARG . . . -87.45 -24.7 35.5 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.11 -44.92 67.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 109.275 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.994 ' HB ' HD13 ' B' ' 143' ' ' LEU . 10.7 t -76.21 -41.55 37.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 109.339 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.422 ' NH1' ' HA2' ' A' ' 43' ' ' GLY . 1.1 tmm_? -56.19 -30.39 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -40.21 95.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.48 -42.84 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.477 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 12.5 t80 -53.62 -46.71 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.603 1.189 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.67 -46.73 71.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.207 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.3 m -61.0 -48.27 82.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.396 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.02 -43.41 92.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.477 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 48.9 t80 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.85 -14.84 17.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.487 ' O ' ' CD ' ' B' ' 111' ' ' ARG . . . -68.95 -45.48 70.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.82 HG11 ' HB3' ' B' ' 144' ' ' LEU . 10.1 m -63.49 -30.79 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' B' ' 114' ' ' GLU . 60.8 mt-30 -57.15 -25.85 59.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.261 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.496 ' N ' ' HD2' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -47.78 -27.99 2.3 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.621 1.2 . . . . 0.0 110.329 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.965 ' HB2' HG11 ' A' ' 36' ' ' VAL . . . -61.13 -59.34 5.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -23.7 48.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 23.4 tt0 -49.09 -28.07 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.834 HG12 ' O ' ' B' ' 112' ' ' ALA . 7.5 p -57.7 -33.12 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.723 HD13 HG13 ' B' ' 115' ' ' VAL . 0.1 OUTLIER -58.67 -22.89 58.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.581 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.1 OUTLIER -61.29 -38.14 85.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 1.0 OUTLIER -82.52 -41.22 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.773 ' CD1' HG22 ' B' ' 115' ' ' VAL . 1.8 mp -61.19 -14.42 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -23.33 58.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.407 1.067 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 3.2 t -95.25 -30.82 13.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 108.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 1.187 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -90.47 132.39 35.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 123' ' ' PRO . . . . . 0.495 ' HD2' ' HD2' ' B' ' 122' ' ' TYR . 18.3 Cg_endo -75.1 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.447 1.762 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.866 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 0.3 OUTLIER -101.01 -173.26 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.412 ' C ' ' OE1' ' B' ' 124' ' ' GLU . 30.4 t-20 -114.76 127.79 55.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 28.4 t-20 -55.85 -21.65 21.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.167 . . . . 0.0 109.348 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.67 -54.16 50.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.231 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.762 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . . . -79.28 -41.4 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.606 ' HZ3' HG12 ' B' ' 119' ' ' ILE . 0.0 OUTLIER -58.76 -42.13 88.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 0.0 109.231 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.619 ' O ' HG23 ' B' ' 134' ' ' ILE . 4.4 tp10 -58.86 -26.33 64.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.905 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -71.4 -41.22 69.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.191 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.914 ' HD2' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -71.34 -39.26 71.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.615 1.197 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -49.73 58.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ILE . . . . . 0.905 HD11 HD13 ' B' ' 131' ' ' LEU . 2.7 pp -60.53 -21.72 23.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.969 HD23 HD12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -70.1 -7.85 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 136' ' ' THR . . . . . 0.441 ' HB ' ' HG3' ' B' ' 141' ' ' MET . 7.9 p -112.51 83.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.426 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -114.81 173.68 2.77 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.5 Cg_endo -75.04 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 139' ' ' HIS . . . . . 0.418 ' CE1' ' CB ' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.52 -56.05 2.38 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 140' ' ' PHE . . . . . 0.8 ' CE2' ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -78.05 -70.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.912 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 141' ' ' MET . . . . . 0.686 ' HG2' HD12 ' B' ' 144' ' ' LEU . 0.0 OUTLIER -49.22 -39.75 31.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -53.53 -43.66 68.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.994 HD13 ' HB ' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -60.76 -34.05 73.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 144' ' ' LEU . . . . . 0.82 ' HB3' HG11 ' B' ' 109' ' ' VAL . 50.2 mt -59.35 -40.03 85.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.701 ' O ' HG23 ' B' ' 149' ' ' VAL . 45.6 tt0 -83.41 -8.88 59.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.649 1.218 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 56.8 m -95.09 -18.22 21.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.427 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' HIS . . . . . 0.727 ' O ' HG22 ' B' ' 150' ' ' VAL . 0.3 OUTLIER -109.48 -32.73 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.639 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 148' ' ' ASP . 7.4 t0 -65.44 -13.83 59.61 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 149' ' ' VAL . . . . . 0.701 HG23 ' O ' ' B' ' 145' ' ' GLN . 20.5 t -59.69 -42.53 88.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 150' ' ' VAL . . . . . 0.769 ' O ' HG23 ' B' ' 154' ' ' VAL . 12.6 m -77.27 -35.08 21.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.8 81.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 152' ' ' HIS . . . . . 0.63 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.0 OUTLIER -68.9 -49.13 60.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.568 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 153' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' B' ' 152' ' ' HIS . 17.3 tt0 -71.4 -25.6 62.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.769 HG23 ' O ' ' B' ' 150' ' ' VAL . 2.1 t -58.19 -37.12 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 155' ' ' TYR . . . . . 0.63 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 0.9 OUTLIER -99.0 -6.05 29.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.56 165.89 12.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -44.36 107.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 158' ' ' GLU . . . . . 0.455 ' OE2' ' N ' ' B' ' 159' ' ' ALA . 0.0 OUTLIER -82.61 -11.3 58.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 0.0 110.249 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 159' ' ' ALA . . . . . 0.455 ' N ' ' OE2' ' B' ' 158' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 p -99.96 119.68 38.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.746 . . . . 0.0 109.989 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 6' ' ' GLU . 0.4 OUTLIER -59.21 107.72 0.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -66.12 -34.59 78.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -73.6 -49.6 25.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 3' ' ' LEU . 20.7 tt0 -60.52 -38.14 83.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -71.8 -41.1 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' ILE . 22.0 m-20 -72.16 -57.28 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.715 ' O ' HG22 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -43.49 -26.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.447 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.49 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -91.84 -43.17 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.399 1.062 . . . . 0.0 110.334 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -18.82 63.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.06 . . . . 0.0 110.403 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' B' ' 132' ' ' LYS . 4.6 tt -66.05 -33.68 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.36 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.993 HD13 ' HE3' ' A' ' 16' ' ' MET . 3.8 mm? -55.79 -21.14 17.78 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.465 1.103 . . . . 0.0 109.373 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 36.9 tt0 -86.45 -31.5 21.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.654 1.221 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.717 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.1 mm? -72.74 -52.32 15.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.993 ' HE3' HD13 ' A' ' 13' ' ' LEU . 2.1 ptp -66.6 -34.58 78.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 3.7 tt0 -72.76 -14.97 61.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.529 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.7 m80 -87.09 -34.95 18.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.587 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -70.94 -37.09 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.666 ' HA ' HG11 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -64.72 -4.16 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HG3' ' HA ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -77.86 7.19 6.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.406 1.066 . . . . 0.0 109.26 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.747 HG23 ' HG2' ' A' ' 24' ' ' GLU . 14.7 t -96.58 -24.91 15.81 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.622 1.201 . . . . 0.0 110.323 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.02 -47.57 2.94 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.747 ' HG2' HG23 ' A' ' 22' ' ' THR . 2.2 pm0 -72.97 62.74 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.397 0.704 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.721 ' O ' ' C ' ' A' ' 26' ' ' ASN . 11.2 p -172.86 52.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.331 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.721 ' C ' ' O ' ' A' ' 25' ' ' VAL . 5.0 m120 -0.86 104.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -62.54 -17.96 61.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.381 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.19 70.59 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.686 ' HG3' HG23 ' B' ' 115' ' ' VAL . 5.9 ptpp? -72.44 -39.23 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.809 ' HA ' HG21 ' B' ' 115' ' ' VAL . 1.1 tm? -55.18 -35.84 65.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.233 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLN . . . -71.21 -39.29 71.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.516 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -52.38 -22.68 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.815 HD21 ' CG ' ' B' ' 132' ' ' LYS . 35.1 tp -79.93 -27.71 39.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 15.0 mt-30 -75.22 -46.96 30.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.332 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 32' ' ' SER . 1.9 pp0? -58.79 -23.53 60.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.547 ' CG1' ' HA ' ' A' ' 33' ' ' LEU . 3.6 p -91.97 -37.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD13 HD12 ' A' ' 33' ' ' LEU . 3.6 mp -76.19 -39.45 54.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -85.18 4.67 33.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.688 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -62.05 143.28 56.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 41' ' ' PHE . 17.0 pt-20 -74.11 -46.57 41.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.688 ' CE1' ' CB ' ' A' ' 39' ' ' SER . 2.3 p90 -42.49 -36.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.956 ' CE2' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -53.81 -39.39 65.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' ARG . . . -86.15 -29.47 25.28 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.449 1.093 . . . . 0.0 111.051 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.63 -34.71 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.915 HG11 HD13 ' B' ' 143' ' ' LEU . 21.3 t -77.89 -47.94 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.22 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -55.33 -26.19 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 110.271 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.492 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.9 mt-10 -62.75 -44.68 95.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.252 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.77 ' O ' HG23 ' A' ' 52' ' ' VAL . 76.2 t -68.26 -35.86 72.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.374 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -45.73 72.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.23 -43.2 87.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -65.34 -43.02 92.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 48' ' ' VAL . 76.0 t -68.44 -41.0 83.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.418 1.074 . . . . 0.0 111.019 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 98.1 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -98.35 -25.6 14.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.68 66.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.429 1.081 . . . . 0.0 109.26 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.892 ' HB ' HD13 ' B' ' 144' ' ' LEU . 16.3 m -75.26 -38.93 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.595 ' HA ' ' HZ2' ' B' ' 113' ' ' LYS . 7.1 tt0 -58.27 -34.08 70.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.9 -22.96 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.744 ' CA ' HD13 ' A' ' 33' ' ' LEU . . . -56.03 -61.23 2.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.203 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' LYS . . . . . 0.595 ' HZ2' ' HA ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -81.16 -32.07 33.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 8.9 tt0 -44.77 -29.09 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.357 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.809 HG21 ' HA ' ' A' ' 30' ' ' LEU . 2.7 p -60.28 -33.93 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.686 HD23 HG13 ' B' ' 115' ' ' VAL . 7.3 mt -60.89 -22.09 63.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -59.97 -38.22 81.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.431 ' N ' ' OE1' ' B' ' 117' ' ' GLU . 11.7 tp10 -81.84 -23.35 36.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.237 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.585 HD11 HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -77.97 -13.01 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 0.0 109.376 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -60.68 -29.99 69.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.6 t -88.45 -34.92 17.33 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.468 1.105 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.72 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -84.03 120.13 74.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 97.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.418 1.746 . . . . 0.0 111.086 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.667 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 4.2 pt-20 -110.44 -172.18 1.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -80.73 132.73 35.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.341 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 13.4 m-20 -65.97 -22.5 66.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.43 -36.65 57.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.582 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -70.02 -54.54 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.378 1.049 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 5.1 ptmt -62.73 -31.65 72.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 47.3 tt0 -63.68 -36.5 84.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.35 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.804 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -58.27 -41.04 83.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.815 ' CG ' HD21 ' A' ' 33' ' ' LEU . 1.2 mmmt -72.76 -43.6 62.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.367 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -40.96 88.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ILE . . . . . 0.804 HD11 HD13 ' B' ' 131' ' ' LEU . 2.5 pp -74.75 -18.81 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -68.29 -28.31 67.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 136' ' ' THR . . . . . 0.482 ' O ' ' OG1' ' B' ' 136' ' ' THR . 3.5 p -85.43 83.23 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.661 1.225 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.531 ' HB3' ' CE1' ' B' ' 139' ' ' HIS . 0.3 OUTLIER -109.96 169.58 6.24 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.0 Cg_endo -75.05 0.48 8.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 139' ' ' HIS . . . . . 0.531 ' CE1' ' HB3' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.6 -55.76 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 140' ' ' PHE . . . . . 0.846 ' CE2' ' CZ ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -77.55 -67.75 0.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 141' ' ' MET . . . . . 0.43 ' HG3' ' HB ' ' B' ' 136' ' ' THR . 0.0 OUTLIER -50.63 -44.06 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -53.33 -41.55 65.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.383 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.915 HD13 HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -60.83 -34.87 75.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 144' ' ' LEU . . . . . 0.956 HD21 ' CE2' ' A' ' 42' ' ' PHE . 38.2 mt -59.8 -43.03 94.66 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.473 1.108 . . . . 0.0 109.202 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.706 ' O ' HG23 ' B' ' 149' ' ' VAL . 1.2 pt20 -78.67 -8.17 58.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.1 m -104.37 -18.79 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -105.98 -37.54 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.044 . . . . 0.0 109.623 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' B' ' 144' ' ' LEU . 13.5 p-10 -65.52 -12.87 56.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.404 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 149' ' ' VAL . . . . . 0.706 HG23 ' O ' ' B' ' 145' ' ' GLN . 43.1 t -62.12 -40.68 88.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 150' ' ' VAL . . . . . 0.881 ' O ' HG23 ' B' ' 154' ' ' VAL . 2.4 m -62.2 -34.93 66.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.37 72.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' HIS . . . . . 0.62 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 64.1 m80 -70.18 -49.18 52.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.6 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -29.68 63.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.254 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.881 HG23 ' O ' ' B' ' 150' ' ' VAL . 6.0 t -54.98 -41.54 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.368 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 155' ' ' TYR . . . . . 0.62 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 0.6 OUTLIER -92.2 -9.96 40.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.073 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 1.9 t -91.31 166.68 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -43.88 107.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -82.22 -11.78 58.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.461 ' O ' ' OD1' ' A' ' 4' ' ' ASN . 5.8 t -111.77 175.52 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.51 ' CD1' ' HB3' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -67.89 78.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 2' ' ' SER . 2.6 p-10 -135.05 -41.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.684 HD11 ' CE2' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -55.66 -34.07 64.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.51 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 57.6 tt0 -62.01 -49.63 75.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -74.95 -37.76 61.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.241 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 12' ' ' ILE . 8.5 m-20 -66.88 -39.67 87.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 12' ' ' ILE . 1.2 t -44.01 -28.05 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.379 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.417 ' HA ' HD23 ' A' ' 13' ' ' LEU . 4.0 mt-30 -94.73 -40.9 9.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 7.1 tpt180 -69.81 -19.0 63.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.751 HG23 HD22 ' A' ' 13' ' ' LEU . 3.6 tt -68.28 -37.51 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.757 HD13 ' CE ' ' A' ' 16' ' ' MET . 3.4 mm? -55.47 -20.51 12.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.648 1.218 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 25.8 tt0 -81.82 -46.48 14.11 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.63 1.207 . . . . 0.0 110.339 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.763 ' O ' HG13 ' A' ' 19' ' ' VAL . 2.5 mm? -57.49 -47.54 81.63 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.901 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.8 mtp -59.34 -45.97 89.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 1.2 tp10 -64.17 -15.42 59.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -87.53 -34.76 18.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 109.531 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -74.39 -33.19 32.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.644 ' HB3' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -70.45 -3.02 15.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 110.311 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 42.7 mtpt -76.45 0.72 18.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.785 HG21 ' CG ' ' B' ' 122' ' ' TYR . 6.3 t -92.38 -24.9 18.74 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.596 1.185 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.59 -44.17 3.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 122' ' ' TYR . 0.4 OUTLIER -77.91 62.95 2.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.44 0.729 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.719 ' O ' ' C ' ' A' ' 26' ' ' ASN . 7.6 p -170.95 56.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.395 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.719 ' C ' ' O ' ' A' ' 25' ' ' VAL . 4.9 m120 -1.56 102.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 1.081 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -62.62 -30.96 71.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.27 74.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.707 ' HZ1' HG23 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -70.75 -46.46 62.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.228 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.901 HD11 ' HB3' ' A' ' 16' ' ' MET . 1.4 tp -58.29 -31.75 67.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.254 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.06 88.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' HG12 ' A' ' 36' ' ' VAL . 49.4 m -53.31 -28.8 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.833 HD12 ' HB1' ' B' ' 112' ' ' ALA . 1.7 tp -69.89 -36.92 75.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.51 ' HG2' ' CE ' ' A' ' 16' ' ' MET . 30.7 mt-30 -68.23 -38.13 81.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 39' ' ' SER . 39.2 mm-40 -61.1 -29.89 70.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' B' ' 112' ' ' ALA . 2.3 p -90.44 -45.37 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.75 HD22 HD11 ' A' ' 33' ' ' LEU . 1.9 mp -67.45 -21.95 65.52 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 84.9 mt-30 -102.4 -2.71 28.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.576 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 40.2 t -66.97 142.13 57.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLY . 2.0 mp0 -74.69 -32.34 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -40.46 -30.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 110.976 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.854 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.2 OUTLIER -60.43 -42.25 95.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 111.058 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . -70.03 -42.19 68.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.067 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.64 -35.35 70.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.743 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.029 HG13 HD12 ' B' ' 143' ' ' LEU . 24.5 t -76.88 -49.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.424 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 2.7 ppt_? -64.11 -26.44 68.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -35.65 80.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.381 1.05 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 52' ' ' VAL . 75.7 t -67.94 -29.57 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.335 1.022 . . . . 0.0 109.364 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.631 ' CD2' HD21 ' B' ' 143' ' ' LEU . 1.9 t80 -66.78 -45.06 79.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.62 -42.02 87.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -63.06 -41.49 99.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.405 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 48' ' ' VAL . 70.5 t -74.32 -43.24 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.398 1.061 . . . . 0.0 110.983 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.56 ' O ' HG12 ' B' ' 109' ' ' VAL . 8.1 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -2.39 28.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.407 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' B' ' 111' ' ' ARG . . . -64.17 -38.53 91.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.906 ' CG2' HD13 ' B' ' 144' ' ' LEU . 11.1 p -47.84 -52.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.508 ' N ' HG13 ' B' ' 109' ' ' VAL . 5.7 tt0 -58.9 -22.39 59.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' B' ' 108' ' ' ALA . 0.0 OUTLIER -62.19 -22.46 65.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.833 ' HB1' HD12 ' A' ' 33' ' ' LEU . . . -53.03 -61.35 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -74.07 -29.5 61.91 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.51 ' CB ' ' HA ' ' B' ' 111' ' ' ARG . 35.0 tt0 -46.18 -28.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.742 HG22 ' O ' ' B' ' 112' ' ' ALA . 17.0 m -60.91 -33.96 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.972 HD21 ' HB3' ' B' ' 132' ' ' LYS . 1.7 mm? -60.26 -21.8 62.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 9.0 pt-20 -59.66 -40.74 88.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.068 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.94 -29.54 35.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 110.182 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.651 HG23 ' HG3' ' B' ' 124' ' ' GLU . 0.5 OUTLIER -65.05 -15.98 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -24.64 65.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.1 t -95.9 -30.71 13.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 108.208 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.785 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -93.86 116.79 66.9 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 94.56 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.6 1.842 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.674 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -98.3 -174.19 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.443 ' HB3' ' CB ' ' B' ' 128' ' ' ALA . 54.6 t-20 -79.85 120.63 24.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.563 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 49.6 m-80 -51.09 -30.12 15.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.365 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.04 -40.94 60.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' B' ' 125' ' ' ASN . . . -65.95 -54.48 25.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -64.45 -30.25 71.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.672 ' O ' HG23 ' B' ' 134' ' ' ILE . 8.8 tt0 -61.7 -27.52 68.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.935 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -70.1 -39.59 75.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.634 1.209 . . . . 0.0 109.366 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.972 ' HB3' HD21 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -71.96 -38.92 69.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -70.0 -49.71 48.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ILE . . . . . 0.935 HD11 HD13 ' B' ' 131' ' ' LEU . 2.6 pp -60.86 -18.8 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.638 1.211 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.684 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.86 -22.11 64.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.394 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 136' ' ' THR . . . . . 0.469 ' O ' ' OG1' ' B' ' 136' ' ' THR . 2.6 p -97.38 84.0 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.573 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -111.94 -178.23 0.51 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' B' ' 137' ' ' GLN . 17.9 Cg_endo -75.06 -0.59 10.17 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.938 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 139' ' ' HIS . . . . . 0.543 ' O ' HD23 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -101.89 -56.62 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.574 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 140' ' ' PHE . . . . . 0.796 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.73 -74.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 141' ' ' MET . . . . . 0.641 ' HE3' ' HA ' ' B' ' 141' ' ' MET . 1.0 OUTLIER -46.5 -34.26 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -62.92 -43.54 98.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 1.029 HD12 HG13 ' A' ' 45' ' ' VAL . 1.5 mm? -67.14 -35.63 80.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 144' ' ' LEU . . . . . 0.906 HD13 ' CG2' ' B' ' 109' ' ' VAL . 9.9 mt -68.47 -36.71 79.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -91.63 -7.04 51.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' B' ' 142' ' ' ALA . 8.7 m -100.11 -14.99 18.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.38 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 147' ' ' HIS . . . . . 0.979 ' O ' HG22 ' B' ' 150' ' ' VAL . 2.0 t-80 -113.37 -31.34 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.593 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' B' ' 151' ' ' ALA . 15.9 t0 -64.81 -14.93 60.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.16 -45.45 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' VAL . . . . . 0.979 HG22 ' O ' ' B' ' 147' ' ' HIS . 32.7 m -64.91 -31.6 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 151' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' B' ' 148' ' ' ASP . . . -53.91 -39.46 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.209 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 152' ' ' HIS . . . . . 0.544 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 51.3 m80 -70.59 -50.38 37.81 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.382 1.052 . . . . 0.0 109.598 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' B' ' 150' ' ' VAL . 1.3 t -59.04 -31.11 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.624 1.203 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 155' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 1.2 p90 -113.08 1.29 15.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 111.055 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.39 166.42 12.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.935 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -44.07 107.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.217 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.89 -11.42 58.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.59 -177.26 3.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 0.746 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.505 HD23 HD23 ' A' ' 5' ' ' LEU . 8.8 tp -56.54 149.17 17.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.451 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -115.32 19.1 15.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.958 HD21 ' HG3' ' B' ' 137' ' ' GLN . 0.3 OUTLIER -52.01 -24.19 6.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.615 1.197 . . . . 0.0 109.398 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.1 tt0 -62.23 -31.04 71.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -73.29 -36.89 66.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 12' ' ' ILE . 2.2 t0 -63.75 -19.02 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.591 ' C ' HG22 ' A' ' 12' ' ' ILE . 7.5 p -43.39 -27.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.188 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.428 ' N ' ' C ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -94.84 -42.91 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.27 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -71.24 -21.2 62.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.63 1.206 . . . . 0.0 110.248 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.836 HD12 HD23 ' B' ' 135' ' ' LEU . 4.8 tt -61.05 -33.67 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.961 HD13 ' HE1' ' A' ' 16' ' ' MET . 2.9 mm? -55.62 -18.31 7.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.503 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 23.2 tt0 -87.61 -31.03 20.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.637 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -68.25 -50.42 53.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.619 1.2 . . . . 0.0 109.262 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.961 ' HE1' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.86 -49.72 73.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 9.0 pt-20 -57.96 -19.04 27.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 1.6 m80 -81.25 -35.66 30.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.64 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 16' ' ' MET . 1.3 m -78.59 -35.6 18.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.689 ' HB3' HD13 ' A' ' 30' ' ' LEU . 6.4 pt20 -67.35 -3.21 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -74.88 -2.92 29.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.229 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.856 HG21 ' CE2' ' B' ' 122' ' ' TYR . 13.3 t -88.08 -19.74 26.66 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.155 . . . . 0.0 110.402 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.01 -48.92 1.77 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.851 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.7 OUTLIER -75.53 59.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 110.359 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.746 HG13 HG13 ' B' ' 119' ' ' ILE . 0.2 OUTLIER -157.18 49.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.587 1.18 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.702 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.5 m-80 -9.46 107.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.587 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 12.5 t30 -62.18 -18.15 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.12 -46.72 79.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.565 ' CG ' HG23 ' B' ' 115' ' ' VAL . 5.5 pttp -72.41 -43.29 64.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.123 ' O ' HD22 ' A' ' 33' ' ' LEU . 10.5 tt -67.53 -27.98 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.243 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 27' ' ' ASN . . . -72.42 -30.33 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.411 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -59.73 -45.79 91.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.988 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.157 HD23 ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -56.8 -24.18 48.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.382 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 1.157 ' N ' HD23 ' A' ' 33' ' ' LEU . 11.3 mt-30 -71.84 -35.85 70.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.799 ' HB2' HH21 ' B' ' 111' ' ' ARG . 42.9 mm-40 -60.34 -30.6 69.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 0.0 110.239 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.81 HG11 ' HB2' ' B' ' 112' ' ' ALA . 11.4 p -91.19 -38.21 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.768 HD22 ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -74.06 -19.14 60.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.25 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 34' ' ' GLN . 12.6 mm100 -107.99 13.67 25.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 42.2 t -91.79 141.07 29.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 42' ' ' PHE . 1.3 tp10 -74.94 -30.7 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.838 ' CZ ' HD22 ' B' ' 144' ' ' LEU . 0.3 OUTLIER -45.19 -21.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.985 ' CE2' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -71.31 -38.08 71.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.54 -28.45 29.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 111.005 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.05 85.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 41' ' ' PHE . 26.2 t -75.04 -39.76 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -30.24 63.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.26 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -46.53 78.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.385 1.053 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.38 -47.06 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.408 1.067 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.5 -44.31 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -67.33 -46.52 73.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.4 1.062 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 m -60.64 -42.89 97.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.27 -40.7 83.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.6 -5.35 35.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.98 72.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.452 HG11 ' HB3' ' B' ' 144' ' ' LEU . 32.9 m -85.67 -34.31 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -23.28 66.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.799 HH21 ' HB2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -57.76 -19.37 27.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.81 ' HB2' HG11 ' A' ' 36' ' ' VAL . . . -64.01 -56.29 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -79.09 -25.33 43.05 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 15.7 tt0 -50.26 -28.12 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.565 HG23 ' CG ' ' A' ' 29' ' ' LYS . 4.9 p -58.81 -33.99 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.367 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.482 HD21 ' HD3' ' B' ' 132' ' ' LYS . 1.5 mm? -56.7 -22.31 34.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.193 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.2 OUTLIER -59.18 -38.94 81.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.371 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.473 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 5.7 tp10 -81.99 -35.97 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.198 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.746 HG13 HG13 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -60.3 -16.14 11.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -23.46 63.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.86 -23.98 16.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.856 ' CE2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -101.9 121.73 49.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 111.051 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 95.57 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.428 1.751 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.723 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -98.23 -173.85 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.216 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.439 ' HB3' ' HB3' ' B' ' 128' ' ' ALA . 54.8 t-20 -87.7 123.44 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.184 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.593 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 21.3 m120 -51.66 -31.41 25.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.51 -49.71 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' A' ' 15' ' ' LEU . . . -59.81 -46.48 89.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -72.88 -28.7 62.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.707 ' HG2' HG23 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -62.28 -34.47 76.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.877 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -59.94 -43.38 95.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.22 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.977 ' HD2' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -69.25 -35.78 76.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 0.0 109.222 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' B' ' 133' ' ' ARG . 8.6 ttm105 -71.25 -49.12 46.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.175 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ILE . . . . . 0.877 HD11 HD13 ' B' ' 131' ' ' LEU . 2.4 pp -61.75 -22.66 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.836 HD23 HD12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -70.4 -7.58 44.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 136' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' B' ' 136' ' ' THR . 6.0 p -108.74 85.01 2.02 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.958 ' HG3' HD21 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -112.95 175.47 1.84 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.633 1.208 . . . . 0.0 110.228 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.0 Cg_endo -75.06 -2.88 13.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 139' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' B' ' 137' ' ' GLN . 15.7 p80 -102.72 -50.67 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.66 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 140' ' ' PHE . . . . . 0.756 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.38 -72.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 141' ' ' MET . . . . . 0.578 ' HE3' ' HA ' ' B' ' 141' ' ' MET . 3.4 tpt -48.55 -26.82 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.73 -32.64 60.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.728 HD12 ' C ' ' B' ' 143' ' ' LEU . 0.2 OUTLIER -74.96 -35.33 62.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 144' ' ' LEU . . . . . 0.985 HD21 ' CE2' ' A' ' 42' ' ' PHE . 17.7 mt -60.22 -36.06 76.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.641 1.213 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -78.08 -15.23 59.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.189 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 88.6 m -95.13 -18.36 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' HIS . . . . . 0.543 ' O ' ' ND1' ' B' ' 147' ' ' HIS . 21.8 t-80 -115.12 -8.14 12.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' B' ' 144' ' ' LEU . 0.0 OUTLIER -63.74 -21.24 66.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.286 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 149' ' ' VAL . . . . . 0.504 ' O ' ' ND1' ' B' ' 152' ' ' HIS . 41.2 t -60.14 -45.09 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.393 1.058 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 150' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' B' ' 154' ' ' VAL . 22.0 t -78.26 -39.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 151' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' B' ' 148' ' ' ASP . . . -56.42 -40.52 74.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 152' ' ' HIS . . . . . 0.545 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.1 OUTLIER -70.63 -47.72 58.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 109.612 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -65.55 -26.14 67.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' B' ' 150' ' ' VAL . 1.4 t -58.1 -36.77 58.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 155' ' ' TYR . . . . . 0.545 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 1.2 p90 -103.85 -3.62 24.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.08 166.3 14.53 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.6 1.188 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -43.69 107.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 158' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' B' ' 159' ' ' ALA . 0.0 OUTLIER -82.47 -11.35 58.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 159' ' ' ALA . . . . . 0.462 ' N ' ' OE1' ' B' ' 158' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.084 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -98.2 178.32 5.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 0.773 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.35 90.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.494 1.121 . . . . 0.0 109.392 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 8' ' ' ASP . 12.2 p30 -123.75 0.67 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.7 HD22 ' HG3' ' B' ' 137' ' ' GLN . 0.6 OUTLIER -63.14 -41.99 99.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.387 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.602 ' O ' HG12 ' A' ' 9' ' ' VAL . 57.1 tt0 -61.91 -48.79 78.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.065 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -71.22 -37.28 72.05 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.576 1.172 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.488 ' HB3' HD11 ' B' ' 131' ' ' LEU . 2.4 m-20 -71.97 -22.19 61.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.212 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.725 ' O ' HG22 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -50.4 -29.27 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.614 1.196 . . . . 0.0 109.231 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.672 ' HA ' HD23 ' A' ' 13' ' ' LEU . 2.9 mt-30 -91.95 -43.76 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -65.28 -19.64 66.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.344 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 9' ' ' VAL . 2.9 tt -69.11 -32.46 54.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.798 HD13 ' CE ' ' A' ' 16' ' ' MET . 3.6 mm? -59.63 -19.2 47.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 11.8 tt0 -83.23 -50.91 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.651 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.2 mt -59.14 -42.59 91.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.978 ' SD ' HD21 ' A' ' 33' ' ' LEU . 4.0 mtp -53.6 -49.13 68.46 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 20' ' ' GLN . 1.6 tt0 -70.85 -19.06 62.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.524 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.8 m80 -78.84 -35.95 43.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.678 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.837 HG11 ' OE1' ' B' ' 124' ' ' GLU . 4.8 m -79.46 -40.37 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.882 ' HB3' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.0 -3.67 5.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.163 . . . . 0.0 110.256 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.524 ' HG3' ' HA ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -68.63 -8.71 44.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 109.371 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.787 HG21 ' CG ' ' B' ' 122' ' ' TYR . 11.8 t -81.17 -23.36 38.27 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.378 1.048 . . . . 0.0 110.373 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.08 -41.93 3.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 61.54 0.79 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 0.719 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.707 ' O ' ' C ' ' A' ' 26' ' ' ASN . 2.2 p -171.67 57.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 25' ' ' VAL . 4.0 m120 -3.43 106.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' ALA . 3.2 p-10 -61.1 -26.01 67.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.44 83.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.893 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.3 OUTLIER -72.58 -39.18 67.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.343 1.027 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.882 HD22 ' HB3' ' A' ' 20' ' ' GLN . 4.5 tp -72.46 -30.88 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' HA ' ' HG3' ' A' ' 34' ' ' GLN . . . -62.73 -48.92 77.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.47 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 2.4 m -54.35 -28.92 46.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.058 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.978 HD21 ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -71.06 -26.88 63.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.653 1.221 . . . . 0.0 109.259 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.72 ' N ' HD23 ' A' ' 33' ' ' LEU . 19.4 mt-30 -75.17 -32.35 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 32' ' ' SER . 20.7 mm-40 -66.62 -45.03 80.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.004 HG11 ' HB2' ' B' ' 112' ' ' ALA . 7.2 p -71.85 -33.15 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.556 HD21 HD13 ' A' ' 12' ' ' ILE . 4.3 mp -78.72 -40.52 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 34' ' ' GLN . 63.8 mt-30 -86.99 7.98 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.72 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -70.33 139.56 52.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.024 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.99 -35.69 59.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.72 ' CE2' ' CB ' ' A' ' 39' ' ' SER . 1.6 p90 -49.93 -31.47 12.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.421 1.076 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.98 ' CE2' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -55.44 -47.59 75.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' HA2' ' CZ ' ' A' ' 46' ' ' ARG . . . -78.82 -32.53 40.36 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.558 1.162 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -68.82 -43.93 74.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.892 HG21 ' CD2' ' B' ' 147' ' ' HIS . 24.4 t -78.35 -33.39 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 3.7 tmm_? -68.22 -35.0 77.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -64.6 -24.91 67.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.766 ' O ' HG12 ' A' ' 52' ' ' VAL . 88.6 t -67.87 -40.17 83.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.498 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 3.3 m-85 -62.83 -46.63 87.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -68.58 -32.79 72.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -72.85 -48.27 39.0 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.425 1.078 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 48' ' ' VAL . 14.8 p -71.17 -31.48 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 17.4 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.798 ' OG ' ' HB3' ' B' ' 151' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' B' ' 110' ' ' GLN . 0.6 OUTLIER -77.1 0.18 22.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.45 91.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.527 HG23 ' N ' ' B' ' 110' ' ' GLN . 33.4 m -51.3 -53.28 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.609 1.193 . . . . 0.0 109.349 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.527 ' N ' HG23 ' B' ' 109' ' ' VAL . 20.0 pt20 -73.4 -34.61 65.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.175 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -53.68 -18.44 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.241 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 1.004 ' HB2' HG11 ' A' ' 36' ' ' VAL . . . -67.56 -51.83 45.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' LYS . . . . . 0.455 ' CD ' ' HA ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -83.11 -29.83 28.41 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 1.8 tt0 -45.83 -28.79 1.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.614 1.196 . . . . 0.0 110.234 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.893 HG23 ' HG3' ' A' ' 29' ' ' LYS . 7.3 p -58.91 -33.71 50.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.649 HD21 ' HB3' ' B' ' 132' ' ' LYS . 1.5 mm? -63.83 -22.56 66.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.388 1.055 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 1.1 pp20? -58.83 -39.5 81.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.465 ' O ' ' CD ' ' B' ' 118' ' ' GLU . 0.3 OUTLIER -80.41 -38.65 29.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.549 HD13 HD13 ' B' ' 116' ' ' LEU . 0.7 OUTLIER -57.35 -15.24 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 4.5 t -60.11 -26.19 66.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 3.5 t -94.82 -33.66 12.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 108.31 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.787 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -88.53 117.76 68.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.837 ' OE1' HG11 ' A' ' 19' ' ' VAL . 2.7 pt-20 -108.11 -174.3 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.472 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 33.0 t-20 -70.72 120.32 16.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.498 ' HA ' ' CE ' ' B' ' 129' ' ' LYS . 6.0 m120 -56.32 -24.7 45.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -51.2 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.458 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -55.71 -54.27 46.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.498 ' CE ' ' HA ' ' B' ' 126' ' ' ASN . 1.5 ptpt -60.67 -27.03 67.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.454 ' O ' HG23 ' B' ' 134' ' ' ILE . 8.2 mt-10 -73.14 -31.68 64.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.716 HD13 HD11 ' B' ' 134' ' ' ILE . 0.1 OUTLIER -57.14 -40.56 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.7 ' O ' HG23 ' B' ' 136' ' ' THR . 3.0 mmmt -73.32 -37.35 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.357 1.036 . . . . 0.0 109.352 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -67.76 -41.93 82.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 110.302 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ILE . . . . . 0.716 HD11 HD13 ' B' ' 131' ' ' LEU . 2.0 pp -71.1 -25.4 25.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.708 ' N ' HD12 ' B' ' 134' ' ' ILE . 0.4 OUTLIER -68.62 -10.79 58.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 136' ' ' THR . . . . . 0.7 HG23 ' O ' ' B' ' 132' ' ' LYS . 10.9 p -105.85 82.75 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.37 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.7 ' HG3' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -111.93 -177.5 0.45 Allowed Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' B' ' 137' ' ' GLN . 18.5 Cg_endo -74.95 -1.11 10.78 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.793 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -53.78 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.664 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 140' ' ' PHE . . . . . 0.813 ' HA ' HD23 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -78.41 -71.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 141' ' ' MET . . . . . 0.604 ' HA ' ' HE3' ' B' ' 141' ' ' MET . 6.0 tpt -49.53 -26.38 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.97 -35.06 59.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -66.66 -35.94 81.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.403 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 144' ' ' LEU . . . . . 0.98 HD21 ' CE2' ' A' ' 42' ' ' PHE . 10.1 mt -68.24 -37.09 80.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.602 1.189 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -77.01 -8.09 56.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 110.22 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.2 -5.57 13.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.395 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 147' ' ' HIS . . . . . 0.892 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -114.99 -36.73 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 148' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 144' ' ' LEU . 2.1 p-10 -65.14 -13.67 58.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 149' ' ' VAL . . . . . 0.472 ' O ' ' ND1' ' B' ' 152' ' ' HIS . 91.1 t -61.28 -38.76 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 150' ' ' VAL . . . . . 0.721 ' O ' HG23 ' B' ' 154' ' ' VAL . 76.7 t -77.49 -38.66 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 151' ' ' ALA . . . . . 0.798 ' HB3' ' OG ' ' B' ' 106' ' ' SER . . . -64.47 -40.16 95.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.386 1.054 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 152' ' ' HIS . . . . . 0.584 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.0 OUTLIER -65.55 -49.34 69.26 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 0.0 109.706 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 153' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' B' ' 152' ' ' HIS . 1.3 tt0 -69.82 -25.36 63.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.574 1.171 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 150' ' ' VAL . 2.0 t -58.99 -36.57 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.192 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 155' ' ' TYR . . . . . 0.584 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 0.8 OUTLIER -100.39 -8.2 23.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.51 166.73 15.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -43.34 107.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.48 -11.5 58.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.06 . . . . 0.0 110.312 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 12' ' ' ILE . 1.2 m-20 -71.8 -20.59 61.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.842 HG22 HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -55.63 -30.09 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.15 -40.09 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -68.68 -19.07 64.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.895 HG23 HD22 ' A' ' 13' ' ' LEU . 8.6 tt -69.36 -35.3 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.199 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.895 HD22 HG23 ' A' ' 12' ' ' ILE . 2.9 mm? -62.01 -19.82 63.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 5.8 tt0 -80.25 -49.07 12.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.755 HD13 HD23 ' B' ' 131' ' ' LEU . 1.3 mt -62.15 -43.32 99.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.829 ' CE ' HD13 ' A' ' 13' ' ' LEU . 8.6 mtp -57.44 -46.49 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 1.1 tp10 -69.54 -16.8 63.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.229 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -84.85 -43.88 13.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.622 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.879 HG11 ' OE1' ' B' ' 124' ' ' GLU . 3.4 m -72.1 -30.52 36.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.718 ' HA ' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -70.45 -1.69 11.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.229 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 17' ' ' GLU . 2.7 mmmt -82.44 8.41 11.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.837 HG21 ' CG ' ' B' ' 122' ' ' TYR . 9.2 t -91.58 -23.02 20.03 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 110.379 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.77 -45.51 3.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.083 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -78.86 63.07 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.387 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.722 ' O ' ' C ' ' A' ' 26' ' ' ASN . 12.2 p -170.14 43.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.722 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -0.16 108.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 12.2 p30 -60.49 -13.81 15.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.366 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.33 -52.55 61.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.704 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.5 OUTLIER -72.77 -44.7 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.815 HD21 ' HB3' ' A' ' 16' ' ' MET . 1.1 tm? -54.31 -47.94 71.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.24 -41.35 94.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -54.14 -34.08 59.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.932 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.893 HD13 ' HZ2' ' B' ' 132' ' ' LYS . 0.7 OUTLIER -68.31 -30.55 69.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.579 ' HA ' HD11 ' A' ' 13' ' ' LEU . 46.2 mt-30 -69.88 -37.84 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -60.8 -32.59 71.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.778 HG11 ' HB2' ' B' ' 112' ' ' ALA . 7.5 p -88.41 -38.32 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.842 HD13 HG22 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -68.49 -39.12 81.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -91.61 6.21 46.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.63 ' OG ' ' CE1' ' A' ' 41' ' ' PHE . 84.6 p -61.6 141.98 57.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.42 -33.0 58.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.637 ' CD2' ' C ' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -53.98 -31.14 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.075 . . . . 0.0 110.987 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.09 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -57.66 -45.6 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.12 -36.73 30.66 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.12 93.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.698 HG11 HD13 ' B' ' 143' ' ' LEU . 35.8 t -77.35 -41.83 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 1.7 tmt_? -56.55 -29.35 61.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.46 -41.43 93.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.01 -44.38 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -46.58 62.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.52 HG11 ' HB3' ' B' ' 144' ' ' LEU . 10.8 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' B' ' 114' ' ' GLU . 4.1 tt0 -56.94 -33.11 66.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.546 ' C ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -57.49 -25.57 59.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.911 ' O ' HG12 ' B' ' 115' ' ' VAL . . . -62.86 -61.31 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -76.82 -20.14 56.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' B' ' 113' ' ' LYS . 60.8 tt0 -45.97 -36.5 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.979 HG13 HD23 ' B' ' 116' ' ' LEU . 2.5 p -59.18 -33.2 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.979 HD23 HG13 ' B' ' 115' ' ' VAL . 0.1 OUTLIER -66.15 -30.8 71.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' B' ' 118' ' ' GLU . 0.0 OUTLIER -59.33 -35.6 74.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 4.5 tp10 -82.16 -29.59 31.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.58 HD12 ' O ' ' B' ' 115' ' ' VAL . 1.0 OUTLIER -69.46 -12.69 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -59.1 -26.85 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.043 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 4.0 t -93.35 -38.01 11.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.837 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -81.82 117.4 68.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 111.009 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 96.15 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.879 ' OE1' HG11 ' A' ' 19' ' ' VAL . 3.2 pt-20 -110.63 -179.58 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 61.4 t-20 -61.72 115.48 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . 0.468 ' HA ' ' CD ' ' B' ' 129' ' ' LYS . 16.1 p-10 -51.51 -26.24 8.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.71 -48.65 18.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.419 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.31 -54.53 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 1.1 ptpt -58.72 -29.48 66.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.465 ' O ' HG23 ' B' ' 134' ' ' ILE . 31.7 tt0 -72.77 -26.45 61.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.365 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.838 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -63.35 -41.92 98.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.893 ' HZ2' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -69.58 -33.3 72.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.89 -49.65 28.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . 0.838 HD11 HD13 ' B' ' 131' ' ' LEU . 2.4 pp -63.64 -18.92 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.566 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.51 -8.5 41.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' B' ' 136' ' ' THR . 4.4 p -108.02 84.77 2.0 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.622 1.201 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . 0.531 ' HB3' ' HD2' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -115.13 179.39 0.79 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.4 Cg_endo -74.99 -0.2 9.67 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' HIS . . . . . 0.41 ' ND1' ' HB2' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.88 -55.83 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.634 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' PHE . . . . . 0.826 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -78.24 -72.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' MET . . . . . 0.668 ' HA ' ' HE3' ' B' ' 141' ' ' MET . 3.5 tpt -48.18 -27.2 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.02 -34.2 61.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.829 HD21 ' HD1' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -73.68 -35.1 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . 1.09 HD21 ' CE1' ' A' ' 42' ' ' PHE . 21.6 mt -61.27 -40.2 93.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -76.82 -13.66 59.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -95.94 -13.94 23.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' HIS . . . . . 0.583 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.613 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 9' ' ' VAL . 16.1 p30 -71.91 -19.2 61.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.213 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 1.048 HG22 ' CD1' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -44.88 -30.36 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.37 -44.82 7.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.475 1.109 . . . . 0.0 110.361 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -19.84 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.905 HD12 HD23 ' B' ' 135' ' ' LEU . 3.5 tt -65.32 -32.23 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.53 HD21 ' NE2' ' A' ' 38' ' ' GLN . 1.1 mm? -66.89 -21.15 66.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.579 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 3.9 tt0 -80.39 -47.72 14.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.115 . . . . 0.0 110.235 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.681 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.4 mt -61.63 -34.52 75.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 1.03 ' CE ' HD12 ' A' ' 33' ' ' LEU . 6.5 mtm -66.97 -46.22 75.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.99 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 26.9 tt0 -65.42 -14.9 61.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.233 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -85.22 -39.72 17.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.514 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.862 HG11 ' OE1' ' B' ' 124' ' ' GLU . 5.0 m -71.38 -32.9 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 17' ' ' GLU . 2.9 pt20 -71.99 -3.2 21.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 110.308 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' HIS . 17.5 mmmt -69.32 -10.59 58.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.951 HG21 ' CD2' ' B' ' 122' ' ' TYR . 2.5 t -81.27 -22.38 38.69 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.71 -42.74 2.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.42 1.075 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.603 ' C ' HG12 ' A' ' 25' ' ' VAL . 1.3 tp10 -76.76 59.13 1.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 0.761 . . . . 0.0 110.38 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.883 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 1.6 m -161.92 44.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.717 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -0.14 109.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 16.8 p30 -60.93 -17.62 52.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -52.79 64.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.885 ' HG3' HG23 ' B' ' 115' ' ' VAL . 1.0 OUTLIER -74.34 -29.91 61.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 16' ' ' MET . 2.1 tm? -66.8 -48.83 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.84 -29.81 69.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.506 ' OG ' ' NH1' ' B' ' 111' ' ' ARG . 1.2 m -53.99 -22.94 11.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.945 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.03 HD12 ' CE ' ' A' ' 16' ' ' MET . 2.6 tm? -83.65 -41.97 17.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.07 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.627 ' O ' ' N ' ' A' ' 38' ' ' GLN . 64.3 mt-30 -54.15 -49.15 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 32' ' ' SER . 3.1 pt20 -54.89 -51.4 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.551 ' CG1' ' HA ' ' A' ' 33' ' ' LEU . 4.9 p -66.0 -47.07 86.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.048 ' CD1' HG22 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -65.01 -30.01 70.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.627 ' N ' ' O ' ' A' ' 34' ' ' GLN . 9.5 mm-40 -94.6 13.81 22.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.617 ' OG ' ' CE2' ' A' ' 41' ' ' PHE . 59.9 p -83.29 146.94 28.26 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.897 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -75.27 -42.52 54.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.345 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -40.27 -37.73 0.69 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.375 1.047 . . . . 0.0 111.045 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.025 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -55.7 -42.83 75.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.625 1.203 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . -85.81 -36.06 10.77 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.538 1.149 . . . . 0.0 110.921 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.54 82.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.228 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.974 HG11 HD13 ' B' ' 143' ' ' LEU . 68.0 t -75.08 -40.7 44.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 4.7 tmm_? -60.97 -28.44 69.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 110.249 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -33.0 74.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.0 t -68.44 -29.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -46.45 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.399 1.062 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.254 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.401 ' HG2' ' CD ' ' B' ' 114' ' ' GLU . 8.0 tt0 -58.59 -33.7 70.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.389 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.507 ' HD3' ' O ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -52.46 -20.31 2.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 110.364 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.803 ' HB1' HD23 ' A' ' 33' ' ' LEU . . . -59.17 -60.22 4.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . 0.585 ' O ' HD22 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -81.98 -31.01 31.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 1.6 tt0 -42.8 -27.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.382 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.885 HG23 ' HG3' ' A' ' 29' ' ' LYS . 7.3 p -57.27 -34.8 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.585 HD22 ' O ' ' B' ' 113' ' ' LYS . 1.5 mm? -60.65 -20.98 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.385 1.053 . . . . 0.0 109.239 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -57.75 -38.36 75.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.43 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 18.3 tp10 -83.18 -34.45 25.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.433 ' HB ' ' HA ' ' B' ' 116' ' ' LEU . 1.2 mt -66.78 -14.9 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -24.42 65.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 t -95.23 -30.41 14.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.951 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -92.04 118.33 68.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.05 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.862 ' OE1' HG11 ' A' ' 19' ' ' VAL . 3.9 pt-20 -110.33 -178.95 3.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.468 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 60.8 t-20 -69.35 125.15 25.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.383 1.052 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 2.5 m-20 -59.64 -23.74 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.12 -49.8 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 1.181 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.455 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.51 -51.32 70.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -64.44 -28.98 70.04 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.483 1.115 . . . . 0.0 109.237 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.471 ' HG3' HG23 ' B' ' 134' ' ' ILE . 12.9 tt0 -66.16 -35.45 80.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.392 1.058 . . . . 0.0 110.196 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.88 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -60.84 -42.17 97.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.833 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -70.54 -33.33 71.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -49.3 26.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . 0.88 HD11 HD13 ' B' ' 131' ' ' LEU . 2.6 pp -61.67 -18.87 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.365 1.041 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.905 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -69.14 -8.19 43.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' THR . . . . . 0.461 ' O ' ' OG1' ' B' ' 136' ' ' THR . 4.3 p -108.94 84.14 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . 0.605 ' O ' ' HB3' ' B' ' 141' ' ' MET . 0.0 OUTLIER -110.62 175.14 2.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.396 1.06 . . . . 0.0 110.342 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.6 Cg_endo -74.8 -2.3 12.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.457 1.767 . . . . 0.0 111.035 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' B' ' 140' ' ' PHE . 0.0 OUTLIER -102.49 -53.26 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.623 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -77.47 -70.81 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.37 1.044 . . . . 0.0 110.945 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' MET . . . . . 0.605 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -48.3 -35.2 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -62.79 -36.1 82.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.974 HD13 HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -70.4 -35.45 73.46 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.355 1.034 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . 1.025 HD21 ' CE1' ' A' ' 42' ' ' PHE . 25.4 mt -59.23 -37.54 77.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.61 -10.63 57.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 84.9 m -95.77 -16.33 21.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' HIS . . . . . 0.672 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.551 ' CG ' HD11 ' B' ' 131' ' ' LEU . 0.8 OUTLIER -59.71 -32.03 70.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.854 ' O ' HG22 ' A' ' 12' ' ' ILE . 11.5 m -43.03 -29.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.609 1.193 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.419 ' N ' ' C ' ' A' ' 8' ' ' ASP . 4.2 mt-30 -86.38 -40.19 15.66 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.332 1.02 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -73.28 -20.15 60.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.951 HD12 HD23 ' B' ' 135' ' ' LEU . 8.6 tt -65.98 -34.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.744 HD22 ' O ' ' A' ' 9' ' ' VAL . 1.3 mm? -70.41 -21.37 62.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.471 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 9.3 tt0 -75.07 -42.66 56.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.96 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.1 mt -72.88 -48.47 37.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.773 ' HB3' HD11 ' A' ' 30' ' ' LEU . 15.7 mtp -53.5 -47.09 70.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 9.6 pt-20 -70.61 -16.17 62.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.473 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.8 m80 -86.86 -35.51 18.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.564 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.96 HG13 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -71.44 -36.43 60.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.1 . . . . 0.0 109.402 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.467 ' NE2' ' C ' ' A' ' 20' ' ' GLN . 1.3 pp0? -71.05 -3.71 21.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.656 1.223 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HA ' ' CE ' ' A' ' 21' ' ' LYS . 3.1 mmpt? -60.87 -13.57 16.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 1.224 HG21 ' CD1' ' B' ' 122' ' ' TYR . 10.7 t -79.77 -20.68 45.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.95 -40.63 2.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' H ' HG23 ' A' ' 22' ' ' THR . 13.9 mm-40 -80.99 61.03 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.382 0.696 . . . . 0.0 110.327 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.716 ' O ' ' C ' ' A' ' 26' ' ' ASN . 22.0 t -153.91 51.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.716 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.7 m-80 -3.74 102.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -62.25 -22.77 66.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.48 73.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.383 1.052 . . . . 0.0 109.343 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HE3' ' CB ' ' B' ' 118' ' ' GLU . 5.9 pttm -72.16 -43.82 64.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.167 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.773 HD11 ' HB3' ' A' ' 16' ' ' MET . 0.7 OUTLIER -54.85 -36.39 65.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.381 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HA ' ' CD ' ' A' ' 34' ' ' GLN . . . -73.76 -34.5 64.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.7 m -53.5 -27.27 24.62 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.624 1.202 . . . . 0.0 109.959 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.856 ' CD2' ' HB1' ' B' ' 112' ' ' ALA . 2.0 tm? -75.95 -41.95 49.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.732 ' CG ' HD12 ' A' ' 13' ' ' LEU . 11.6 mt-30 -61.26 -37.24 82.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -60.3 -33.26 72.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.734 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 3.5 p -90.29 -46.22 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.416 1.073 . . . . 0.0 109.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.804 ' HG ' HD11 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -58.78 -26.34 63.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.235 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 4.2 mt-30 -107.07 13.55 27.33 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.626 1.203 . . . . 0.0 110.335 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -84.66 149.84 25.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 109.931 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -74.9 -32.16 61.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.99 ' CZ ' HD22 ' B' ' 144' ' ' LEU . 0.3 OUTLIER -49.48 -21.21 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.629 1.206 . . . . 0.0 111.076 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.25 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -82.41 -41.75 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 111.027 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.01 -34.78 13.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.18 94.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' B' ' 147' ' ' HIS . 38.4 t -78.17 -43.83 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 4.3 tmm_? -57.92 -28.14 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.201 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.66 -38.78 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -66.49 -29.97 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.14 -46.59 70.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.423 ' CG2' ' HE1' ' B' ' 141' ' ' MET . 2.5 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.456 ' O ' ' HD3' ' B' ' 113' ' ' LYS . 56.9 mt-30 -56.33 -25.62 49.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.226 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.513 ' HD3' ' N ' ' B' ' 112' ' ' ALA . 0.0 OUTLIER -51.65 -18.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.856 ' HB1' ' CD2' ' A' ' 33' ' ' LEU . . . -66.56 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 0.0 109.24 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -77.92 -24.33 48.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.375 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 11.6 tt0 -46.79 -28.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 110.255 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.508 HG22 ' HZ1' ' B' ' 132' ' ' LYS . 6.0 m -58.61 -34.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.241 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' B' ' 113' ' ' LYS . 0.8 OUTLIER -60.86 -22.13 63.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.2 OUTLIER -61.12 -38.06 85.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.45 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -82.43 -36.48 26.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.516 ' O ' ' O ' ' B' ' 122' ' ' TYR . 1.0 OUTLIER -63.2 -13.34 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.65 1.219 . . . . 0.0 109.379 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 4.3 m -60.52 -28.36 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.089 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.34 -37.9 14.55 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.157 . . . . 0.0 108.229 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 1.224 ' CD1' HG21 ' A' ' 22' ' ' THR . 0.4 OUTLIER -83.71 130.45 55.59 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 94.34 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 0.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.682 ' HB3' ' CE2' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -99.34 -175.97 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.454 ' N ' ' HG2' ' B' ' 124' ' ' GLU . 64.6 t-20 -97.1 118.97 34.7 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 109.206 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' B' ' 130' ' ' GLU . 32.2 m120 -49.96 -26.83 4.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.548 1.155 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -75.22 -50.74 15.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.883 ' HA ' HD22 ' A' ' 15' ' ' LEU . . . -61.2 -45.58 93.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.416 ' HB3' ' CG ' ' B' ' 124' ' ' GLU . 3.8 ptmt -71.46 -25.63 62.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.699 ' O ' HG23 ' B' ' 134' ' ' ILE . 2.6 mt-10 -61.14 -36.91 81.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.195 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.551 HD11 ' CG ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -60.06 -44.04 95.0 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.479 1.112 . . . . 0.0 109.237 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.944 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.0 -40.25 60.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -65.39 -40.02 92.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 110.276 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . 0.699 HG23 ' O ' ' B' ' 130' ' ' GLU . 2.3 pp -75.38 -16.28 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.395 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.951 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -67.69 -14.44 62.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.198 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' THR . . . . . 0.488 ' O ' ' OG1' ' B' ' 136' ' ' THR . 2.9 p -103.51 83.42 2.16 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . 0.558 ' O ' ' HB3' ' B' ' 141' ' ' MET . 0.0 OUTLIER -113.39 176.18 1.58 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.0 Cg_endo -75.02 -1.82 11.73 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -54.04 2.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 0.0 109.627 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' PHE . . . . . 0.958 ' HA ' HD23 ' B' ' 143' ' ' LEU . 0.1 OUTLIER -76.81 -70.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' MET . . . . . 0.676 ' HE3' HD12 ' B' ' 144' ' ' LEU . 4.6 tpt -49.79 -26.41 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 111.069 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -76.65 -33.76 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.616 1.198 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.958 HD23 ' HA ' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -69.89 -35.38 74.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . 1.25 HD21 ' CE1' ' A' ' 42' ' ' PHE . 11.9 mt -69.0 -37.43 78.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -72.17 -8.17 53.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 72.4 m -99.15 -17.44 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.588 1.18 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' HIS . . . . . 0.702 ' HB2' HG21 ' A' ' 45' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.065 . . . . 0.0 109.582 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.562 ' O ' ' N ' ' A' ' 12' ' ' ILE . 1.1 m-20 -64.97 -33.34 75.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.992 HG22 ' CD1' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -44.1 -32.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.543 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.24 -38.31 11.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.243 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -25.78 64.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.361 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.024 HD12 HD23 ' B' ' 135' ' ' LEU . 4.7 tt -59.1 -40.28 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.735 HD12 ' HG2' ' A' ' 34' ' ' GLN . 2.8 mm? -57.48 -22.65 45.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 17.0 tt0 -88.43 -38.74 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.773 HD23 ' HG ' ' B' ' 131' ' ' LEU . 1.4 mm? -64.24 -53.46 48.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 1.075 ' CE ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -65.02 -34.6 78.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 3.1 tt0 -69.91 -18.18 63.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 4.6 m80 -84.42 -30.24 25.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.609 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.667 ' O ' ' CE1' ' B' ' 122' ' ' TYR . 0.9 OUTLIER -78.34 -37.27 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.238 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER -70.83 -4.69 25.47 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.588 1.18 . . . . 0.0 110.271 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -70.16 -7.15 39.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 1.102 HG21 ' CD2' ' B' ' 122' ' ' TYR . 1.8 t -83.74 -20.11 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.47 -45.42 2.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 25' ' ' VAL . 4.3 tp10 -80.12 61.38 3.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.414 0.714 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.715 ' O ' ' C ' ' A' ' 26' ' ' ASN . 2.5 t -154.25 46.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.715 ' C ' ' O ' ' A' ' 25' ' ' VAL . 1.8 m-80 -2.69 104.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 8.8 p-10 -61.35 -13.99 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.23 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.74 30.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.833 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.0 OUTLIER -76.57 -40.95 48.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.802 HD23 HG21 ' B' ' 115' ' ' VAL . 0.5 OUTLIER -57.72 -45.25 86.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HA ' ' HG3' ' A' ' 34' ' ' GLN . . . -72.39 -33.97 67.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB3' ' NE ' ' B' ' 111' ' ' ARG . 28.4 m -53.65 -29.59 39.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.922 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.075 HD12 ' CE ' ' A' ' 16' ' ' MET . 1.6 tm? -65.29 -30.69 71.57 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.162 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.735 ' HG2' HD12 ' A' ' 13' ' ' LEU . 22.5 mt-30 -68.25 -46.05 71.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -54.8 -27.73 43.94 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 33' ' ' LEU . 7.5 p -93.72 -47.15 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.013 HD23 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.99 -42.68 99.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -88.67 13.19 12.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.541 1.151 . . . . 0.0 110.259 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.633 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -75.47 150.02 38.34 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.139 . . . . 0.0 109.97 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.71 -32.68 62.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.731 ' CD1' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -49.84 -44.22 49.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.378 1.049 . . . . 0.0 110.999 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.827 ' CZ ' ' CE1' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -54.62 -46.55 73.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.92 -35.15 31.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 0.0 110.956 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.7 86.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.756 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.106 HG11 HD13 ' B' ' 143' ' ' LEU . 2.6 t -76.88 -42.11 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 5.9 tpt180 -56.71 -29.48 62.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.195 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -41.87 95.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.72 -50.32 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -51.62 -46.74 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.503 1.127 . . . . 0.0 110.234 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.991 ' CG1' HD13 ' B' ' 144' ' ' LEU . 97.9 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -57.19 -32.95 66.99 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.527 ' C ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -51.75 -20.62 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.609 1.193 . . . . 0.0 110.339 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.744 ' O ' HG12 ' B' ' 115' ' ' VAL . . . -60.18 -62.37 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.609 1.193 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . 0.415 ' H ' ' CD ' ' B' ' 113' ' ' LYS . 0.0 OUTLIER -81.19 -26.18 36.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 8.4 tt0 -44.23 -27.6 0.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.833 HG23 ' HG3' ' A' ' 29' ' ' LYS . 5.9 p -57.4 -34.18 45.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.191 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -58.14 -23.1 53.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -64.99 -35.46 81.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 0.1 OUTLIER -81.57 -34.4 31.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.626 HG13 HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -69.07 -14.89 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.414 1.071 . . . . 0.0 109.238 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.4 t -60.07 -27.22 66.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.35 -37.6 12.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 108.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 1.102 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.5 OUTLIER -83.25 121.06 76.77 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 96.54 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.405 1.74 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.788 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 2.4 pt-20 -110.8 -172.45 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -85.29 137.28 33.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . 0.489 ' HA ' ' CD ' ' B' ' 129' ' ' LYS . 15.7 m-20 -67.96 -21.53 65.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -48.35 35.35 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.551 1.157 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.631 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.59 -55.03 39.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 8.4 ptmt -60.09 -27.48 67.03 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.835 ' O ' HG23 ' B' ' 134' ' ' ILE . 0.9 OUTLIER -61.99 -31.37 71.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.222 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.888 HD12 ' HB ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.04 -46.69 70.44 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.15 . . . . 0.0 109.211 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.654 ' NZ ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -70.45 -32.35 69.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.169 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -49.53 17.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . 0.835 HG23 ' O ' ' B' ' 130' ' ' GLU . 2.3 pp -63.32 -19.02 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.593 1.183 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 1.024 HD23 HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -68.79 -11.26 60.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.399 1.062 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' THR . . . . . 0.478 ' HA ' ' HG3' ' B' ' 141' ' ' MET . 7.2 p -106.17 84.49 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . 0.408 ' CB ' ' CE1' ' B' ' 139' ' ' HIS . 0.0 OUTLIER -115.72 172.3 3.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.531 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.2 Cg_endo -74.92 -1.53 11.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.536 1.808 . . . . 0.0 111.054 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' HIS . . . . . 0.415 ' NE2' ' HD2' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -102.03 -56.39 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.546 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' PHE . . . . . 0.827 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -77.13 -68.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.082 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' MET . . . . . 0.561 ' HG2' HD12 ' B' ' 144' ' ' LEU . 0.0 OUTLIER -49.67 -44.13 47.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.367 1.042 . . . . 0.0 111.01 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -52.24 -37.12 54.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 1.106 HD13 HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -61.27 -34.57 75.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . 0.991 HD13 ' CG1' ' B' ' 109' ' ' VAL . 23.8 mt -60.81 -42.45 97.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -72.68 -8.98 57.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 110.338 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 22.4 m -105.13 -17.47 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.39 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 1.6 t-80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.61 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -59.97 -28.73 67.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.078 . . . . 0.0 109.295 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.909 HG22 HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -44.52 -30.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.374 1.046 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.533 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.04 -38.87 12.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.391 1.057 . . . . 0.0 110.252 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -26.46 64.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.364 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.867 HD11 ' HA ' ' B' ' 132' ' ' LYS . 5.0 tt -60.78 -33.64 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.714 HD13 ' HE1' ' A' ' 16' ' ' MET . 3.9 mm? -55.49 -20.82 13.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.339 1.024 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' CG ' ' CE1' ' A' ' 18' ' ' HIS . 17.7 tt0 -87.87 -40.38 14.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.646 ' O ' HG13 ' A' ' 19' ' ' VAL . 2.2 mm? -54.97 -45.99 75.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.907 ' HB3' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -64.01 -47.7 79.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 15.4 tt0 -59.34 -16.05 20.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.257 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.445 ' CE1' ' CG ' ' A' ' 14' ' ' GLU . 1.7 m80 -85.53 -33.72 21.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 109.656 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -78.16 -34.1 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.512 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 2.0 pp0? -70.14 -3.04 14.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.352 1.032 . . . . 0.0 110.351 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' HG2' ' NE2' ' A' ' 20' ' ' GLN . 9.7 mtpp -73.24 -8.7 56.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.976 HG21 ' CD2' ' B' ' 122' ' ' TYR . 0.8 OUTLIER -84.25 -24.42 29.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.383 1.052 . . . . 0.0 110.381 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.63 -42.52 2.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.516 ' H ' HG23 ' A' ' 22' ' ' THR . 0.6 OUTLIER -76.54 61.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.356 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.881 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -171.13 59.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.247 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.712 ' C ' ' O ' ' A' ' 25' ' ' VAL . 4.2 m-80 -6.23 115.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.225 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.11 -17.2 61.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.34 -52.21 65.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.37 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.947 ' HG3' HG23 ' B' ' 115' ' ' VAL . 6.5 ptmt -68.2 -41.26 81.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.907 HD21 ' HB3' ' A' ' 16' ' ' MET . 2.9 tm? -54.99 -34.08 63.11 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.563 1.164 . . . . 0.0 109.178 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.72 -29.68 63.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.61 1.193 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.485 ' OG ' ' NH1' ' B' ' 111' ' ' ARG . 14.8 m -54.77 -46.33 74.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.063 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -60.44 -31.02 70.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.367 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.688 HE21 HD12 ' A' ' 13' ' ' LEU . 18.3 mt-30 -69.3 -37.79 77.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.472 ' O ' ' OG ' ' A' ' 39' ' ' SER . 8.6 mt-30 -63.92 -27.01 68.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.733 HG11 ' HB2' ' B' ' 112' ' ' ALA . 4.1 p -91.65 -40.05 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.909 HD13 HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -73.66 -32.22 63.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.249 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' GLN . 28.6 mt-30 -86.46 14.06 7.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 35' ' ' GLN . 39.5 m -94.12 139.51 30.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.023 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 42' ' ' PHE . 24.8 pt-20 -74.63 -31.85 62.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' HB2' ' CD2' ' B' ' 147' ' ' HIS . 0.3 OUTLIER -46.06 -21.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.765 ' CE1' ' CE2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -70.77 -42.63 70.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.387 1.055 . . . . 0.0 110.906 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.15 -14.4 66.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.62 70.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.973 ' HB ' HD13 ' B' ' 143' ' ' LEU . 4.7 t -78.71 -39.12 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.399 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HD2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -56.12 -31.87 63.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 0.0 110.404 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.74 -39.24 90.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.249 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.8 -43.13 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -51.34 -45.51 62.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.43 ' CD ' ' NH2' ' A' ' 46' ' ' ARG . 37.5 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.626 1.204 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.909 ' HB ' HD13 ' B' ' 144' ' ' LEU . 18.2 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 114' ' ' GLU . 5.9 tt0 -59.18 -34.52 72.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -53.07 -19.21 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.804 ' HB1' HD23 ' A' ' 33' ' ' LEU . . . -56.92 -61.46 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . 0.73 ' HB3' HG21 ' B' ' 136' ' ' THR . 0.0 OUTLIER -83.23 -29.88 28.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 5.0 tt0 -45.9 -28.72 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.947 HG23 ' HG3' ' A' ' 29' ' ' LYS . 12.0 p -60.08 -33.88 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.8 HD22 HG13 ' B' ' 115' ' ' VAL . 2.1 mm? -59.39 -21.21 59.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 1.0 OUTLIER -58.77 -39.33 80.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.438 ' HG2' ' ND2' ' A' ' 26' ' ' ASN . 3.0 tp10 -81.14 -35.69 31.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.406 ' O ' ' O ' ' B' ' 122' ' ' TYR . 0.9 OUTLIER -67.76 -15.61 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.426 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 19.1 m -60.96 -24.37 66.03 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.474 1.109 . . . . 0.0 110.054 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 6.0 t -93.87 -34.67 13.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.183 . . . . 0.0 108.365 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.976 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.76 118.9 70.85 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 111.019 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 94.06 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.622 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -106.4 -173.6 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' B' ' 124' ' ' GLU . 0.2 OUTLIER -77.04 118.07 19.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.199 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . 0.581 ' HA ' ' HG2' ' B' ' 129' ' ' LYS . 2.8 p-10 -57.94 -22.68 50.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 130' ' ' GLU . 0.5 OUTLIER -67.86 -48.04 67.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 15' ' ' LEU . . . -74.85 -33.29 62.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.413 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.581 ' HG2' ' HA ' ' B' ' 126' ' ' ASN . 0.5 OUTLIER -71.25 -46.85 60.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.407 1.067 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' B' ' 126' ' ' ASN . 10.4 pt-20 -61.28 -27.31 68.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.551 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -58.89 -44.8 91.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.867 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -72.66 -42.18 64.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' ARG . . . . . 0.403 ' HB3' ' HA ' ' B' ' 130' ' ' GLU . 0.0 OUTLIER -56.69 -48.63 77.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.221 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . 0.551 HD11 HD13 ' B' ' 131' ' ' LEU . 2.7 pp -67.9 -22.68 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.672 HD23 HD12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -69.3 -11.05 60.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.332 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' THR . . . . . 0.73 HG21 ' HB3' ' B' ' 113' ' ' LYS . 17.1 p -108.75 83.92 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.464 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . 0.557 ' HB2' ' CD2' ' B' ' 139' ' ' HIS . 0.0 OUTLIER -113.81 173.95 2.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.1 Cg_endo -75.06 -3.13 13.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.569 1.826 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' B' ' 140' ' ' PHE . 21.4 p80 -101.5 -55.94 2.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.611 1.195 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' PHE . . . . . 0.765 ' CE2' ' CE1' ' A' ' 42' ' ' PHE . 5.6 t80 -74.89 -67.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.623 1.202 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' MET . . . . . 0.683 ' HE3' HD11 ' B' ' 144' ' ' LEU . 0.0 OUTLIER -50.59 -27.2 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.981 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -77.72 -34.01 52.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.973 HD13 ' HB ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -67.31 -46.46 73.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . 0.909 HD13 ' HB ' ' B' ' 109' ' ' VAL . 3.1 pp -64.31 -35.36 80.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' GLN . . . . . 0.9 ' N ' HD12 ' B' ' 144' ' ' LEU . 37.6 tt0 -71.38 -16.09 62.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 18.2 m -102.49 -6.61 22.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 1.8 t-80 . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -72.9 -22.21 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.656 ' O ' HG22 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -49.39 -28.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.377 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -93.92 -44.43 8.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -20.04 65.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.222 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.969 HD12 HD23 ' B' ' 135' ' ' LEU . 0.9 OUTLIER -65.32 -36.32 77.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.972 HD13 ' CE ' ' A' ' 16' ' ' MET . 2.2 mm? -53.59 -21.29 6.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.514 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 23.9 tt0 -90.17 -30.8 17.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.236 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.86 ' HG ' HD23 ' B' ' 131' ' ' LEU . 1.5 mm? -66.81 -55.49 14.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.988 ' HE2' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -68.09 -33.05 73.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 1.7 tt0 -73.7 -17.82 61.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.514 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 2.4 m80 -84.11 -33.34 24.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.679 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.762 ' CG1' ' HB3' ' B' ' 128' ' ' ALA . 16.3 m -77.45 -35.72 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.66 ' CB ' HD22 ' A' ' 30' ' ' LEU . 1.9 pp0? -70.41 -4.06 20.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.073 . . . . 0.0 110.355 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.8 OUTLIER -73.55 -1.05 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 1.187 HG21 ' CD2' ' B' ' 122' ' ' TYR . 4.4 t -78.77 -15.38 58.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.549 1.156 . . . . 0.0 110.449 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.96 -45.25 2.31 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.426 1.079 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.511 ' C ' HG23 ' A' ' 25' ' ' VAL . 24.1 mm-40 -84.81 62.05 7.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 0.763 . . . . 0.0 110.352 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' B' ' 122' ' ' TYR . 47.9 t -156.69 60.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.648 ' C ' ' O ' ' A' ' 25' ' ' VAL . 3.0 m120 -16.37 101.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 8.2 t-20 -61.53 -18.7 60.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.222 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.73 70.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.558 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.3 OUTLIER -72.8 -47.25 48.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.596 1.185 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.881 HD11 ' HB2' ' A' ' 16' ' ' MET . 1.4 tp -55.44 -48.41 74.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.375 1.047 . . . . 0.0 109.247 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' ASN . . . -56.52 -33.98 66.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' ' NH1' ' B' ' 111' ' ' ARG . 3.2 m -52.99 -27.78 20.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.121 HD23 ' N ' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -71.58 -24.91 61.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 1.121 ' N ' HD23 ' A' ' 33' ' ' LEU . 39.7 mt-30 -72.12 -35.67 69.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HG2' ' HA ' ' A' ' 32' ' ' SER . 20.8 mm-40 -62.94 -32.05 73.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.965 HG11 ' HB2' ' B' ' 112' ' ' ALA . 7.7 p -89.95 -38.9 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.744 HD12 ' HE3' ' A' ' 16' ' ' MET . 7.7 mt -70.01 -38.47 75.95 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' GLN . 3.8 pt20 -91.78 4.23 53.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.697 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -63.32 142.43 58.39 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.534 1.146 . . . . 0.0 109.903 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -76.67 -38.96 53.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.374 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.711 ' CD2' ' N ' ' A' ' 42' ' ' PHE . 1.4 p90 -44.68 -34.52 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.802 ' HD1' HD21 ' B' ' 143' ' ' LEU . 0.1 OUTLIER -53.48 -34.54 58.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.186 . . . . 0.0 110.97 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' HA2' ' NH1' ' A' ' 46' ' ' ARG . . . -87.45 -24.7 35.5 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.11 -44.92 67.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 109.275 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.994 ' HB ' HD13 ' B' ' 143' ' ' LEU . 10.7 t -76.21 -41.55 37.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 109.339 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.422 ' NH1' ' HA2' ' A' ' 43' ' ' GLY . 1.1 tmm_? -56.19 -30.39 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -40.21 95.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.48 -42.84 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -53.62 -46.71 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.603 1.189 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.207 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.82 HG11 ' HB3' ' B' ' 144' ' ' LEU . 10.1 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' B' ' 114' ' ' GLU . 60.8 mt-30 -57.15 -25.85 59.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.261 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.496 ' N ' ' HD2' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -47.78 -27.99 2.3 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.621 1.2 . . . . 0.0 110.329 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.965 ' HB2' HG11 ' A' ' 36' ' ' VAL . . . -61.13 -59.34 5.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -23.7 48.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 23.4 tt0 -49.09 -28.07 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.834 HG12 ' O ' ' B' ' 112' ' ' ALA . 7.5 p -57.7 -33.12 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.723 HD13 HG13 ' B' ' 115' ' ' VAL . 0.1 OUTLIER -58.67 -22.89 58.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.581 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.1 OUTLIER -61.29 -38.14 85.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 1.0 OUTLIER -82.52 -41.22 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.773 ' CD1' HG22 ' B' ' 115' ' ' VAL . 1.8 mp -61.19 -14.42 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -23.33 58.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.407 1.067 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 3.2 t -95.25 -30.82 13.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 108.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 1.187 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -90.47 132.39 35.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . 0.495 ' HD2' ' HD2' ' B' ' 122' ' ' TYR . 18.3 Cg_endo -75.1 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.447 1.762 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.866 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 0.3 OUTLIER -101.01 -173.26 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.412 ' C ' ' OE1' ' B' ' 124' ' ' GLU . 30.4 t-20 -114.76 127.79 55.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 28.4 t-20 -55.85 -21.65 21.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.167 . . . . 0.0 109.348 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.67 -54.16 50.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.231 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.762 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . . . -79.28 -41.4 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.606 ' HZ3' HG12 ' B' ' 119' ' ' ILE . 0.0 OUTLIER -58.76 -42.13 88.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 0.0 109.231 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.619 ' O ' HG23 ' B' ' 134' ' ' ILE . 4.4 tp10 -58.86 -26.33 64.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.905 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -71.4 -41.22 69.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.191 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.914 ' HD2' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -71.34 -39.26 71.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.615 1.197 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -49.73 58.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . 0.905 HD11 HD13 ' B' ' 131' ' ' LEU . 2.7 pp -60.53 -21.72 23.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.969 HD23 HD12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -70.1 -7.85 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' THR . . . . . 0.441 ' HB ' ' HG3' ' B' ' 141' ' ' MET . 7.9 p -112.51 83.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . 0.426 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -114.81 173.68 2.77 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.5 Cg_endo -75.04 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' HIS . . . . . 0.418 ' CE1' ' CB ' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.52 -56.05 2.38 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' PHE . . . . . 0.8 ' CE2' ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -78.05 -70.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.912 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' MET . . . . . 0.686 ' HG2' HD12 ' B' ' 144' ' ' LEU . 0.0 OUTLIER -49.22 -39.75 31.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -53.53 -43.66 68.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.994 HD13 ' HB ' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -60.76 -34.05 73.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . 0.82 ' HB3' HG11 ' B' ' 109' ' ' VAL . 50.2 mt -59.35 -40.03 85.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -83.41 -8.88 59.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.649 1.218 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 56.8 m -95.09 -18.22 21.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.427 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' HIS . . . . . 0.405 ' O ' ' ND1' ' B' ' 147' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.639 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' ILE . 22.0 m-20 -72.16 -57.28 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.715 ' O ' HG22 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -43.49 -26.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.447 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.49 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -91.84 -43.17 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.399 1.062 . . . . 0.0 110.334 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -18.82 63.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.06 . . . . 0.0 110.403 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' B' ' 132' ' ' LYS . 4.6 tt -66.05 -33.68 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.36 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.993 HD13 ' HE3' ' A' ' 16' ' ' MET . 3.8 mm? -55.79 -21.14 17.78 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.465 1.103 . . . . 0.0 109.373 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.48 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 36.9 tt0 -86.45 -31.5 21.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.654 1.221 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.717 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.1 mm? -72.74 -52.32 15.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.993 ' HE3' HD13 ' A' ' 13' ' ' LEU . 2.1 ptp -66.6 -34.58 78.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 3.7 tt0 -72.76 -14.97 61.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.529 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.7 m80 -87.09 -34.95 18.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.587 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -70.94 -37.09 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.666 ' HA ' HG11 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -64.72 -4.16 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HG3' ' HA ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -77.86 7.19 6.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.406 1.066 . . . . 0.0 109.26 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.747 HG23 ' HG2' ' A' ' 24' ' ' GLU . 14.7 t -96.58 -24.91 15.81 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.622 1.201 . . . . 0.0 110.323 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.02 -47.57 2.94 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.747 ' HG2' HG23 ' A' ' 22' ' ' THR . 2.2 pm0 -72.97 62.74 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.397 0.704 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.721 ' O ' ' C ' ' A' ' 26' ' ' ASN . 11.2 p -172.86 52.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.331 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.721 ' C ' ' O ' ' A' ' 25' ' ' VAL . 1.4 m-80 -0.86 104.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -62.54 -17.96 61.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.381 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.19 70.59 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.686 ' HG3' HG23 ' B' ' 115' ' ' VAL . 5.9 ptpp? -72.44 -39.23 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.809 ' HA ' HG21 ' B' ' 115' ' ' VAL . 1.1 tm? -55.18 -35.84 65.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.233 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLN . . . -71.21 -39.29 71.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.516 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -52.38 -22.68 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.815 HD21 ' CG ' ' B' ' 132' ' ' LYS . 35.1 tp -79.93 -27.71 39.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 15.0 mt-30 -75.22 -46.96 30.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.332 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 32' ' ' SER . 1.9 pp0? -58.79 -23.53 60.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.547 ' CG1' ' HA ' ' A' ' 33' ' ' LEU . 3.6 p -91.97 -37.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD13 HD12 ' A' ' 33' ' ' LEU . 3.6 mp -76.19 -39.45 54.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 34' ' ' GLN . 13.1 mt-30 -85.18 4.67 33.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.688 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -62.05 143.28 56.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 41' ' ' PHE . 17.0 pt-20 -74.11 -46.57 41.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.688 ' CE1' ' CB ' ' A' ' 39' ' ' SER . 2.3 p90 -42.49 -36.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.956 ' CE2' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -53.81 -39.39 65.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' ARG . . . -86.15 -29.47 25.28 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.449 1.093 . . . . 0.0 111.051 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.63 -34.71 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.915 HG11 HD13 ' B' ' 143' ' ' LEU . 21.3 t -77.89 -47.94 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.22 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -55.33 -26.19 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 110.271 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.492 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.9 mt-10 -62.75 -44.68 95.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.252 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.2 t -68.26 -35.86 72.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.374 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -45.73 72.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.892 ' HB ' HD13 ' B' ' 144' ' ' LEU . 16.3 m . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.595 ' HA ' ' HZ2' ' B' ' 113' ' ' LYS . 7.1 tt0 -58.27 -34.08 70.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.9 -22.96 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.744 ' CA ' HD13 ' A' ' 33' ' ' LEU . . . -56.03 -61.23 2.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.203 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . 0.595 ' HZ2' ' HA ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -81.16 -32.07 33.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 8.9 tt0 -44.77 -29.09 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.357 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.809 HG21 ' HA ' ' A' ' 30' ' ' LEU . 2.7 p -60.28 -33.93 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.686 HD23 HG13 ' B' ' 115' ' ' VAL . 7.3 mt -60.89 -22.09 63.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -59.97 -38.22 81.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.431 ' N ' ' OE1' ' B' ' 117' ' ' GLU . 11.7 tp10 -81.84 -23.35 36.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.237 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.585 HD11 HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -77.97 -13.01 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 0.0 109.376 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -60.68 -29.99 69.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.6 t -88.45 -34.92 17.33 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.468 1.105 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.72 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -84.03 120.13 74.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 97.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.418 1.746 . . . . 0.0 111.086 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.667 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 4.2 pt-20 -110.44 -172.18 1.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -80.73 132.73 35.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.341 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 13.4 m-20 -65.97 -22.5 66.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.43 -36.65 57.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.582 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -70.02 -54.54 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.378 1.049 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 5.1 ptmt -62.73 -31.65 72.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 47.3 tt0 -63.68 -36.5 84.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.35 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.804 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -58.27 -41.04 83.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.815 ' CG ' HD21 ' A' ' 33' ' ' LEU . 1.2 mmmt -72.76 -43.6 62.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.367 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -40.96 88.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . 0.804 HD11 HD13 ' B' ' 131' ' ' LEU . 2.5 pp -74.75 -18.81 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -68.29 -28.31 67.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' THR . . . . . 0.482 ' O ' ' OG1' ' B' ' 136' ' ' THR . 3.5 p -85.43 83.23 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.661 1.225 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . 0.531 ' HB3' ' CE1' ' B' ' 139' ' ' HIS . 0.3 OUTLIER -109.96 169.58 6.24 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.0 Cg_endo -75.05 0.48 8.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' HIS . . . . . 0.531 ' CE1' ' HB3' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.6 -55.76 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' PHE . . . . . 0.846 ' CE2' ' CZ ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -77.55 -67.75 0.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' MET . . . . . 0.43 ' HG3' ' HB ' ' B' ' 136' ' ' THR . 0.0 OUTLIER -50.63 -44.06 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -53.33 -41.55 65.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.383 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.915 HD13 HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -60.83 -34.87 75.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . 0.956 HD21 ' CE2' ' A' ' 42' ' ' PHE . 38.2 mt -59.8 -43.03 94.66 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.473 1.108 . . . . 0.0 109.202 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -78.67 -8.17 58.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.1 m -104.37 -18.79 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.044 . . . . 0.0 109.623 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 12' ' ' ILE . 8.5 m-20 -66.88 -39.67 87.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 12' ' ' ILE . 1.2 t -44.01 -28.05 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.379 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.417 ' HA ' HD23 ' A' ' 13' ' ' LEU . 4.0 mt-30 -94.73 -40.9 9.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 7.1 tpt180 -69.81 -19.0 63.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.751 HG23 HD22 ' A' ' 13' ' ' LEU . 3.6 tt -68.28 -37.51 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.757 HD13 ' CE ' ' A' ' 16' ' ' MET . 3.4 mm? -55.47 -20.51 12.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.648 1.218 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.461 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 25.8 tt0 -81.82 -46.48 14.11 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.63 1.207 . . . . 0.0 110.339 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.763 ' O ' HG13 ' A' ' 19' ' ' VAL . 2.5 mm? -57.49 -47.54 81.63 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.901 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.8 mtp -59.34 -45.97 89.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 1.2 tp10 -64.17 -15.42 59.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -87.53 -34.76 18.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 109.531 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -74.39 -33.19 32.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.644 ' HB3' HD22 ' A' ' 30' ' ' LEU . 1.1 pp0? -70.45 -3.02 15.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' N ' HE21 ' A' ' 20' ' ' GLN . 42.7 mtpt -76.45 0.72 18.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.785 HG21 ' CG ' ' B' ' 122' ' ' TYR . 6.3 t -92.38 -24.9 18.74 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.596 1.185 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.59 -44.17 3.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 122' ' ' TYR . 0.4 OUTLIER -77.91 62.95 2.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.44 0.729 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.719 ' O ' ' C ' ' A' ' 26' ' ' ASN . 7.6 p -170.95 56.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.395 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.719 ' C ' ' O ' ' A' ' 25' ' ' VAL . 5.3 m-80 -1.56 102.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 1.081 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -62.62 -30.96 71.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.27 74.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.707 ' HZ1' HG23 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -70.75 -46.46 62.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.228 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.901 HD11 ' HB3' ' A' ' 16' ' ' MET . 1.4 tp -58.29 -31.75 67.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.254 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.06 88.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' HG12 ' A' ' 36' ' ' VAL . 49.4 m -53.31 -28.8 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.833 HD12 ' HB1' ' B' ' 112' ' ' ALA . 1.7 tp -69.89 -36.92 75.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.51 ' HG2' ' CE ' ' A' ' 16' ' ' MET . 30.7 mt-30 -68.23 -38.13 81.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 39' ' ' SER . 39.2 mm-40 -61.1 -29.89 70.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' B' ' 112' ' ' ALA . 2.3 p -90.44 -45.37 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.75 HD22 HD11 ' A' ' 33' ' ' LEU . 1.9 mp -67.45 -21.95 65.52 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 27.7 mt-30 -102.4 -2.71 28.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.576 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 40.2 t -66.97 142.13 57.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLY . 2.0 mp0 -74.69 -32.34 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -40.46 -30.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 110.976 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.854 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.2 OUTLIER -60.43 -42.25 95.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 111.058 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . -70.03 -42.19 68.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.067 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.64 -35.35 70.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.743 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.029 HG13 HD12 ' B' ' 143' ' ' LEU . 24.5 t -76.88 -49.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.424 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 2.7 ppt_? -64.11 -26.44 68.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -35.65 80.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.381 1.05 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.94 -29.57 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.335 1.022 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.631 ' CD2' HD21 ' B' ' 143' ' ' LEU . 1.9 t80 -66.78 -45.06 79.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.906 ' CG2' HD13 ' B' ' 144' ' ' LEU . 11.1 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.508 ' N ' HG13 ' B' ' 109' ' ' VAL . 5.7 tt0 -58.9 -22.39 59.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.523 ' O ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -62.19 -22.46 65.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.833 ' HB1' HD12 ' A' ' 33' ' ' LEU . . . -53.03 -61.35 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -74.07 -29.5 61.91 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.51 ' CB ' ' HA ' ' B' ' 111' ' ' ARG . 35.0 tt0 -46.18 -28.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.742 HG22 ' O ' ' B' ' 112' ' ' ALA . 17.0 m -60.91 -33.96 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.972 HD21 ' HB3' ' B' ' 132' ' ' LYS . 1.7 mm? -60.26 -21.8 62.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 9.0 pt-20 -59.66 -40.74 88.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.068 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.94 -29.54 35.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 110.182 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.651 HG23 ' HG3' ' B' ' 124' ' ' GLU . 0.5 OUTLIER -65.05 -15.98 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -24.64 65.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.1 t -95.9 -30.71 13.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 108.208 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.785 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -93.86 116.79 66.9 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 94.56 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.6 1.842 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.674 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -98.3 -174.19 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.443 ' HB3' ' CB ' ' B' ' 128' ' ' ALA . 54.6 t-20 -79.85 120.63 24.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . 0.563 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 49.6 m-80 -51.09 -30.12 15.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.365 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.04 -40.94 60.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' B' ' 125' ' ' ASN . . . -65.95 -54.48 25.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -64.45 -30.25 71.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.672 ' O ' HG23 ' B' ' 134' ' ' ILE . 8.8 tt0 -61.7 -27.52 68.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.935 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -70.1 -39.59 75.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.634 1.209 . . . . 0.0 109.366 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.972 ' HB3' HD21 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -71.96 -38.92 69.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -70.0 -49.71 48.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . 0.935 HD11 HD13 ' B' ' 131' ' ' LEU . 2.6 pp -60.86 -18.8 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.638 1.211 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.684 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.86 -22.11 64.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.394 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' THR . . . . . 0.469 ' O ' ' OG1' ' B' ' 136' ' ' THR . 2.6 p -97.38 84.0 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . 0.573 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -111.94 -178.23 0.51 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' B' ' 137' ' ' GLN . 17.9 Cg_endo -75.06 -0.59 10.17 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.938 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' HIS . . . . . 0.543 ' O ' HD23 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -101.89 -56.62 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.574 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' PHE . . . . . 0.796 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.73 -74.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' MET . . . . . 0.641 ' HA ' ' HE3' ' B' ' 141' ' ' MET . 1.0 OUTLIER -46.5 -34.26 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -62.92 -43.54 98.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 1.029 HD12 HG13 ' A' ' 45' ' ' VAL . 1.5 mm? -67.14 -35.63 80.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . 0.906 HD13 ' CG2' ' B' ' 109' ' ' VAL . 9.9 mt -68.47 -36.71 79.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -91.63 -7.04 51.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' B' ' 142' ' ' ALA . 8.7 m -100.11 -14.99 18.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.38 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' HIS . . . . . 0.793 ' HD2' HG22 ' A' ' 45' ' ' VAL . 2.0 t-80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 12' ' ' ILE . 2.2 t0 -63.75 -19.02 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.591 ' C ' HG22 ' A' ' 12' ' ' ILE . 7.5 p -43.39 -27.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.188 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.428 ' N ' ' C ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -94.84 -42.91 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.27 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -71.24 -21.2 62.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.63 1.206 . . . . 0.0 110.248 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.836 HD12 HD23 ' B' ' 135' ' ' LEU . 4.8 tt -61.05 -33.67 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.961 HD13 ' HE1' ' A' ' 16' ' ' MET . 2.9 mm? -55.62 -18.31 7.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.503 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 23.2 tt0 -87.61 -31.03 20.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.637 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -68.25 -50.42 53.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.619 1.2 . . . . 0.0 109.262 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.961 ' HE1' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.86 -49.72 73.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 9.0 pt-20 -57.96 -19.04 27.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 1.6 m80 -81.25 -35.66 30.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.64 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 16' ' ' MET . 1.3 m -78.59 -35.6 18.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.689 ' HB3' HD13 ' A' ' 30' ' ' LEU . 1.2 pt20 -67.35 -3.21 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -74.88 -2.92 29.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.229 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.856 HG21 ' CE2' ' B' ' 122' ' ' TYR . 13.3 t -88.08 -19.74 26.66 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.155 . . . . 0.0 110.402 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.01 -48.92 1.77 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.851 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.7 OUTLIER -75.53 59.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 110.359 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.746 HG13 HG13 ' B' ' 119' ' ' ILE . 0.2 OUTLIER -157.18 49.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.587 1.18 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.702 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.5 m-80 -9.46 107.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.587 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 12.5 t30 -62.18 -18.15 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.12 -46.72 79.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.565 ' CG ' HG23 ' B' ' 115' ' ' VAL . 5.5 pttp -72.41 -43.29 64.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.123 ' O ' HD22 ' A' ' 33' ' ' LEU . 10.5 tt -67.53 -27.98 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.243 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 27' ' ' ASN . . . -72.42 -30.33 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.411 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -59.73 -45.79 91.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.988 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.157 HD23 ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -56.8 -24.18 48.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.382 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 1.157 ' N ' HD23 ' A' ' 33' ' ' LEU . 48.5 mt-30 -71.84 -35.85 70.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.799 ' HB2' HH21 ' B' ' 111' ' ' ARG . 42.9 mm-40 -60.34 -30.6 69.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 0.0 110.239 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.81 HG11 ' HB2' ' B' ' 112' ' ' ALA . 11.4 p -91.19 -38.21 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.768 HD22 ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -74.06 -19.14 60.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.25 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 34' ' ' GLN . 37.3 mm-40 -107.99 13.67 25.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 42.2 t -91.79 141.07 29.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 42' ' ' PHE . 1.3 tp10 -74.94 -30.7 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.838 ' CZ ' HD22 ' B' ' 144' ' ' LEU . 0.3 OUTLIER -45.19 -21.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.985 ' CE2' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -71.31 -38.08 71.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.54 -28.45 29.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 111.005 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.05 85.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 41' ' ' PHE . 26.2 t -75.04 -39.76 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -30.24 63.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.26 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -46.53 78.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.385 1.053 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.38 -47.06 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.408 1.067 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.5 -44.31 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.4 1.062 . . . . 0.0 110.258 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.452 HG11 ' HB3' ' B' ' 144' ' ' LEU . 32.9 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -23.28 66.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.799 HH21 ' HB2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -57.76 -19.37 27.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.81 ' HB2' HG11 ' A' ' 36' ' ' VAL . . . -64.01 -56.29 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -79.09 -25.33 43.05 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 15.7 tt0 -50.26 -28.12 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.565 HG23 ' CG ' ' A' ' 29' ' ' LYS . 4.9 p -58.81 -33.99 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.367 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.482 HD21 ' HD3' ' B' ' 132' ' ' LYS . 1.5 mm? -56.7 -22.31 34.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.193 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.2 OUTLIER -59.18 -38.94 81.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.371 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.473 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 5.7 tp10 -81.99 -35.97 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.198 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.746 HG13 HG13 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -60.3 -16.14 11.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -23.46 63.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.86 -23.98 16.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.856 ' CE2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -101.9 121.73 49.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 111.051 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 95.57 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.428 1.751 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.723 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -98.23 -173.85 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.216 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.439 ' HB3' ' HB3' ' B' ' 128' ' ' ALA . 54.8 t-20 -87.7 123.44 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.184 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . 0.593 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 21.3 m120 -51.66 -31.41 25.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.51 -49.71 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' A' ' 15' ' ' LEU . . . -59.81 -46.48 89.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -72.88 -28.7 62.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.707 ' HG2' HG23 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -62.28 -34.47 76.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.877 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -59.94 -43.38 95.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.22 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.977 ' HD2' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -69.25 -35.78 76.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 0.0 109.222 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' B' ' 133' ' ' ARG . 8.6 ttm105 -71.25 -49.12 46.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.175 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . 0.877 HD11 HD13 ' B' ' 131' ' ' LEU . 2.4 pp -61.75 -22.66 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.836 HD23 HD12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -70.4 -7.58 44.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' B' ' 136' ' ' THR . 6.0 p -108.74 85.01 2.02 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . 0.597 ' HB3' ' HD2' ' B' ' 138' ' ' PRO . 0.8 OUTLIER -112.95 175.47 1.84 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.633 1.208 . . . . 0.0 110.228 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.0 Cg_endo -75.06 -2.88 13.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' B' ' 137' ' ' GLN . 15.7 p80 -102.72 -50.67 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.66 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' PHE . . . . . 0.756 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.38 -72.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' MET . . . . . 0.578 ' HE3' ' HA ' ' B' ' 141' ' ' MET . 3.4 tpt -48.55 -26.82 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.73 -32.64 60.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.728 HD12 ' C ' ' B' ' 143' ' ' LEU . 0.2 OUTLIER -74.96 -35.33 62.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . 0.985 HD21 ' CE2' ' A' ' 42' ' ' PHE . 17.7 mt -60.22 -36.06 76.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.641 1.213 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -78.08 -15.23 59.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.189 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 88.6 m -95.13 -18.36 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' HIS . . . . . 0.543 ' O ' ' ND1' ' B' ' 147' ' ' HIS . 21.8 t-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.488 ' HB3' HD11 ' B' ' 131' ' ' LEU . 2.4 m-20 -71.97 -22.19 61.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.212 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.725 ' O ' HG22 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -50.4 -29.27 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.614 1.196 . . . . 0.0 109.231 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.672 ' HA ' HD23 ' A' ' 13' ' ' LEU . 2.9 mt-30 -91.95 -43.76 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -65.28 -19.64 66.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.344 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 9' ' ' VAL . 2.9 tt -69.11 -32.46 54.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.798 HD13 ' CE ' ' A' ' 16' ' ' MET . 3.6 mm? -59.63 -19.2 47.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 11.8 tt0 -83.23 -50.91 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.651 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.2 mt -59.14 -42.59 91.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.978 ' SD ' HD21 ' A' ' 33' ' ' LEU . 4.0 mtp -53.6 -49.13 68.46 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 20' ' ' GLN . 1.6 tt0 -70.85 -19.06 62.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.524 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.8 m80 -78.84 -35.95 43.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.678 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.837 HG11 ' OE1' ' B' ' 124' ' ' GLU . 4.8 m -79.46 -40.37 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.882 ' HB3' HD22 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -66.0 -3.67 5.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.163 . . . . 0.0 110.256 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.524 ' HG3' ' HA ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -68.63 -8.71 44.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 109.371 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.787 HG21 ' CG ' ' B' ' 122' ' ' TYR . 11.8 t -81.17 -23.36 38.27 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.378 1.048 . . . . 0.0 110.373 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.08 -41.93 3.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 61.54 0.79 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 0.719 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.707 ' O ' ' C ' ' A' ' 26' ' ' ASN . 2.2 p -171.67 57.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 25' ' ' VAL . 3.6 m-80 -3.43 106.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' ALA . 3.2 p-10 -61.1 -26.01 67.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.44 83.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.893 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.3 OUTLIER -72.58 -39.18 67.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.343 1.027 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.882 HD22 ' HB3' ' A' ' 20' ' ' GLN . 4.5 tp -72.46 -30.88 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' HA ' ' HG3' ' A' ' 34' ' ' GLN . . . -62.73 -48.92 77.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.47 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 2.4 m -54.35 -28.92 46.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.058 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.978 HD21 ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -71.06 -26.88 63.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.653 1.221 . . . . 0.0 109.259 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.72 ' N ' HD23 ' A' ' 33' ' ' LEU . 19.4 mt-30 -75.17 -32.35 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 32' ' ' SER . 20.7 mm-40 -66.62 -45.03 80.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.004 HG11 ' HB2' ' B' ' 112' ' ' ALA . 7.2 p -71.85 -33.15 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.556 HD21 HD13 ' A' ' 12' ' ' ILE . 4.3 mp -78.72 -40.52 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 34' ' ' GLN . 14.6 mt-30 -86.99 7.98 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.72 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -70.33 139.56 52.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.024 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.99 -35.69 59.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.72 ' CE2' ' CB ' ' A' ' 39' ' ' SER . 1.6 p90 -49.93 -31.47 12.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.421 1.076 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.98 ' CE2' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -55.44 -47.59 75.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' HA2' ' CZ ' ' A' ' 46' ' ' ARG . . . -78.82 -32.53 40.36 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.558 1.162 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -68.82 -43.93 74.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.892 HG21 ' CD2' ' B' ' 147' ' ' HIS . 24.4 t -78.35 -33.39 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 3.7 tmm_? -68.22 -35.0 77.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -64.6 -24.91 67.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.466 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 88.6 t -67.87 -40.17 83.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -62.83 -46.63 87.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.527 HG23 ' N ' ' B' ' 110' ' ' GLN . 33.4 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.527 ' N ' HG23 ' B' ' 109' ' ' VAL . 20.0 pt20 -73.4 -34.61 65.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.175 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -53.68 -18.44 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.241 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 1.004 ' HB2' HG11 ' A' ' 36' ' ' VAL . . . -67.56 -51.83 45.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . 0.455 ' CD ' ' HA ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -83.11 -29.83 28.41 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 1.8 tt0 -45.83 -28.79 1.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.614 1.196 . . . . 0.0 110.234 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.893 HG23 ' HG3' ' A' ' 29' ' ' LYS . 7.3 p -58.91 -33.71 50.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.649 HD21 ' HB3' ' B' ' 132' ' ' LYS . 1.5 mm? -63.83 -22.56 66.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.388 1.055 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 1.1 pp20? -58.83 -39.5 81.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.465 ' O ' ' CD ' ' B' ' 118' ' ' GLU . 0.3 OUTLIER -80.41 -38.65 29.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.549 HD13 HD13 ' B' ' 116' ' ' LEU . 0.7 OUTLIER -57.35 -15.24 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 4.5 t -60.11 -26.19 66.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 3.5 t -94.82 -33.66 12.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 108.31 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.787 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -88.53 117.76 68.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.837 ' OE1' HG11 ' A' ' 19' ' ' VAL . 2.7 pt-20 -108.11 -174.3 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.472 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 33.0 t-20 -70.72 120.32 16.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . 0.498 ' HA ' ' CE ' ' B' ' 129' ' ' LYS . 6.0 m120 -56.32 -24.7 45.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -51.2 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.458 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -55.71 -54.27 46.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.498 ' CE ' ' HA ' ' B' ' 126' ' ' ASN . 1.5 ptpt -60.67 -27.03 67.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.454 ' O ' HG23 ' B' ' 134' ' ' ILE . 8.2 mt-10 -73.14 -31.68 64.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.716 HD13 HD11 ' B' ' 134' ' ' ILE . 0.1 OUTLIER -57.14 -40.56 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.7 ' O ' HG23 ' B' ' 136' ' ' THR . 3.0 mmmt -73.32 -37.35 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.357 1.036 . . . . 0.0 109.352 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -67.76 -41.93 82.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 110.302 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . 0.716 HD11 HD13 ' B' ' 131' ' ' LEU . 2.0 pp -71.1 -25.4 25.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.708 ' N ' HD12 ' B' ' 134' ' ' ILE . 0.4 OUTLIER -68.62 -10.79 58.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' THR . . . . . 0.7 HG23 ' O ' ' B' ' 132' ' ' LYS . 10.9 p -105.85 82.75 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.37 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . 0.576 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -111.93 -177.5 0.45 Allowed Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' B' ' 137' ' ' GLN . 18.5 Cg_endo -74.95 -1.11 10.78 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.793 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -53.78 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.664 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' PHE . . . . . 0.813 ' HA ' HD23 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -78.41 -71.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' MET . . . . . 0.604 ' HA ' ' HE3' ' B' ' 141' ' ' MET . 6.0 tpt -49.53 -26.38 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.97 -35.06 59.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -66.66 -35.94 81.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.403 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' LEU . . . . . 0.98 HD21 ' CE2' ' A' ' 42' ' ' PHE . 10.1 mt -68.24 -37.09 80.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.602 1.189 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -77.01 -8.09 56.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 110.22 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.2 -5.57 13.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.395 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' HIS . . . . . 0.892 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.19 177.79 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.577 0.81 . . . . 0.0 109.942 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.744 HD12 ' HG ' ' A' ' 5' ' ' LEU . 1.3 pt? -59.24 137.34 58.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.512 ' N ' HD22 ' A' ' 4' ' ' ASN . 1.0 OUTLIER -71.02 -30.71 67.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.41 1.069 . . . . 0.0 109.199 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.744 ' HG ' HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -54.82 -45.35 74.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -62.6 -44.14 97.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -38.73 84.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 12' ' ' ILE . 1.2 m-20 -71.8 -20.59 61.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.842 HG22 HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -55.63 -30.09 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.15 -40.09 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -68.68 -19.07 64.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.895 HG23 HD22 ' A' ' 13' ' ' LEU . 8.6 tt -69.36 -35.3 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.199 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.895 HD22 HG23 ' A' ' 12' ' ' ILE . 2.9 mm? -62.01 -19.82 63.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 5.8 tt0 -80.25 -49.07 12.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.755 HD13 HD23 ' B' ' 131' ' ' LEU . 1.3 mt -62.15 -43.32 99.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.829 ' CE ' HD13 ' A' ' 13' ' ' LEU . 8.6 mtp -57.44 -46.49 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 1.1 tp10 -69.54 -16.8 63.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.229 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -84.85 -43.88 13.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.622 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.879 HG11 ' OE1' ' B' ' 124' ' ' GLU . 3.4 m -72.1 -30.52 36.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.718 ' HA ' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -70.45 -1.69 11.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.229 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 17' ' ' GLU . 2.7 mmmt -82.44 8.41 11.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.837 HG21 ' CG ' ' B' ' 122' ' ' TYR . 9.2 t -91.58 -23.02 20.03 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 110.379 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.77 -45.51 3.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.083 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -78.86 63.07 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.387 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.722 ' O ' ' C ' ' A' ' 26' ' ' ASN . 12.2 p -170.14 43.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.722 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -0.16 108.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 12.2 p30 -60.49 -13.81 15.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.366 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.33 -52.55 61.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.704 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.5 OUTLIER -72.77 -44.7 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.815 HD21 ' HB3' ' A' ' 16' ' ' MET . 1.1 tm? -54.31 -47.94 71.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.24 -41.35 94.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -54.14 -34.08 59.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.932 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.893 HD13 ' HZ2' ' B' ' 132' ' ' LYS . 0.7 OUTLIER -68.31 -30.55 69.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.579 ' HA ' HD11 ' A' ' 13' ' ' LEU . 46.2 mt-30 -69.88 -37.84 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -60.8 -32.59 71.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.778 HG11 ' HB2' ' B' ' 112' ' ' ALA . 7.5 p -88.41 -38.32 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.842 HD13 HG22 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -68.49 -39.12 81.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -91.61 6.21 46.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.63 ' OG ' ' CE1' ' A' ' 41' ' ' PHE . 84.6 p -61.6 141.98 57.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 109.997 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.42 -33.0 58.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.637 ' C ' ' CD2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -53.98 -31.14 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.075 . . . . 0.0 110.987 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.09 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -57.66 -45.6 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.12 -36.73 30.66 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.12 93.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.698 HG11 HD13 ' B' ' 143' ' ' LEU . 35.8 t -77.35 -41.83 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 1.7 tmt_? -56.55 -29.35 61.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.46 -41.43 93.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.01 -44.38 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.47 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -51.21 -46.58 62.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -67.51 -38.29 84.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 m -61.54 -48.34 81.44 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.451 1.095 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 49' ' ' TYR . 12.0 p -66.37 -41.94 89.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.432 ' N ' ' OD2' ' B' ' 148' ' ' ASP . 28.7 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.04 -27.51 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.441 ' O ' ' NH1' ' B' ' 111' ' ' ARG . . . -65.36 -42.47 92.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.437 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.52 HG11 ' HB3' ' B' ' 144' ' ' LEU . 10.8 m -67.88 -39.66 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' B' ' 114' ' ' GLU . 4.1 tt0 -56.94 -33.11 66.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.546 ' C ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -57.49 -25.57 59.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.911 ' O ' HG12 ' B' ' 115' ' ' VAL . . . -62.86 -61.31 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -76.82 -20.14 56.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' B' ' 113' ' ' LYS . 60.8 tt0 -45.97 -36.5 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.979 HG13 HD23 ' B' ' 116' ' ' LEU . 2.5 p -59.18 -33.2 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.979 HD23 HG13 ' B' ' 115' ' ' VAL . 0.1 OUTLIER -66.15 -30.8 71.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' B' ' 118' ' ' GLU . 0.0 OUTLIER -59.33 -35.6 74.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 4.5 tp10 -82.16 -29.59 31.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.58 HD12 ' O ' ' B' ' 115' ' ' VAL . 1.0 OUTLIER -69.46 -12.69 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -59.1 -26.85 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.043 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 4.0 t -93.35 -38.01 11.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.837 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -81.82 117.4 68.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 111.009 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 96.15 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.879 ' OE1' HG11 ' A' ' 19' ' ' VAL . 3.2 pt-20 -110.63 -179.58 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 61.4 t-20 -61.72 115.48 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.468 ' HA ' ' CD ' ' B' ' 129' ' ' LYS . 16.1 p-10 -51.51 -26.24 8.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.71 -48.65 18.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.419 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.31 -54.53 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 1.1 ptpt -58.72 -29.48 66.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.465 ' O ' HG23 ' B' ' 134' ' ' ILE . 31.7 tt0 -72.77 -26.45 61.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.365 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.838 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -63.35 -41.92 98.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.893 ' HZ2' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -69.58 -33.3 72.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.89 -49.65 28.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . 0.838 HD11 HD13 ' B' ' 131' ' ' LEU . 2.4 pp -63.64 -18.92 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.566 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.51 -8.5 41.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' B' ' 136' ' ' THR . 4.4 p -108.02 84.77 2.0 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.622 1.201 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.531 ' HB3' ' HD2' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -115.13 179.39 0.79 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.4 Cg_endo -74.99 -0.2 9.67 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' HIS . . . . . 0.41 ' ND1' ' HB2' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.88 -55.83 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.634 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' PHE . . . . . 0.826 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -78.24 -72.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' MET . . . . . 0.668 ' HE3' ' HA ' ' B' ' 141' ' ' MET . 3.5 tpt -48.18 -27.2 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.02 -34.2 61.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.829 HD21 ' HD1' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -73.68 -35.1 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . 1.09 HD21 ' CE1' ' A' ' 42' ' ' PHE . 21.6 mt -61.27 -40.2 93.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.633 ' O ' HG23 ' B' ' 149' ' ' VAL . 1.5 pt20 -76.82 -13.66 59.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -95.94 -13.94 23.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' HIS . . . . . 0.583 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -109.74 -31.81 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.613 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.488 ' HA ' ' HB3' ' B' ' 151' ' ' ALA . 1.5 t70 -65.99 -14.96 62.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 145' ' ' GLN . 56.5 t -60.07 -48.58 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.207 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' B' ' 154' ' ' VAL . 2.7 m -78.05 -39.95 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' B' ' 148' ' ' ASP . . . -53.31 -42.17 66.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . 0.663 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.1 OUTLIER -74.41 -31.22 62.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.596 1.185 . . . . 0.0 109.627 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -24.76 51.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' B' ' 150' ' ' VAL . 0.4 OUTLIER -48.91 -32.67 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.223 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' TYR . . . . . 0.663 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 7.8 p90 -115.41 35.48 4.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . 0.446 ' C ' ' O ' ' B' ' 155' ' ' TYR . 31.5 m -35.29 120.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -49.16 114.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -11.7 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -121.42 -178.78 3.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.616 ' CD1' HD23 ' A' ' 5' ' ' LEU . 2.1 tp -58.77 97.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -125.92 17.67 7.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.224 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.921 HD21 ' NE2' ' B' ' 139' ' ' HIS . 0.6 OUTLIER -53.44 -38.53 63.62 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 36.9 tt0 -69.2 -37.59 78.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -44.49 52.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 9' ' ' VAL . 16.1 p30 -71.91 -19.2 61.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.213 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.048 HG22 ' CD1' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -44.88 -30.36 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.37 -44.82 7.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.475 1.109 . . . . 0.0 110.361 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -19.84 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.905 HD12 HD23 ' B' ' 135' ' ' LEU . 3.5 tt -65.32 -32.23 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.53 HD21 ' NE2' ' A' ' 38' ' ' GLN . 1.1 mm? -66.89 -21.15 66.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.579 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 3.9 tt0 -80.39 -47.72 14.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.115 . . . . 0.0 110.235 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.681 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.4 mt -61.63 -34.52 75.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 1.03 ' CE ' HD12 ' A' ' 33' ' ' LEU . 6.5 mtm -66.97 -46.22 75.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.99 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 26.9 tt0 -65.42 -14.9 61.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.233 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -85.22 -39.72 17.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.514 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.862 HG11 ' OE1' ' B' ' 124' ' ' GLU . 5.0 m -71.38 -32.9 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 17' ' ' GLU . 2.9 pt20 -71.99 -3.2 21.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 110.308 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' HIS . 17.5 mmmt -69.32 -10.59 58.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.951 HG21 ' CD2' ' B' ' 122' ' ' TYR . 2.5 t -81.27 -22.38 38.69 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.71 -42.74 2.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.42 1.075 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.603 ' C ' HG12 ' A' ' 25' ' ' VAL . 1.3 tp10 -76.76 59.13 1.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 0.761 . . . . 0.0 110.38 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.883 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 1.6 m -161.92 44.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.717 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -0.14 109.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 16.8 p30 -60.93 -17.62 52.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -52.79 64.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.885 ' HG3' HG23 ' B' ' 115' ' ' VAL . 1.0 OUTLIER -74.34 -29.91 61.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 16' ' ' MET . 2.1 tm? -66.8 -48.83 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.84 -29.81 69.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.506 ' OG ' ' NH1' ' B' ' 111' ' ' ARG . 1.2 m -53.99 -22.94 11.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.945 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.03 HD12 ' CE ' ' A' ' 16' ' ' MET . 2.6 tm? -83.65 -41.97 17.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.07 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.627 ' O ' ' N ' ' A' ' 38' ' ' GLN . 64.3 mt-30 -54.15 -49.15 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 32' ' ' SER . 3.1 pt20 -54.89 -51.4 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.551 ' CG1' ' HA ' ' A' ' 33' ' ' LEU . 4.9 p -66.0 -47.07 86.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.048 ' CD1' HG22 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -65.01 -30.01 70.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.627 ' N ' ' O ' ' A' ' 34' ' ' GLN . 9.5 mm-40 -94.6 13.81 22.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.617 ' OG ' ' CE2' ' A' ' 41' ' ' PHE . 59.9 p -83.29 146.94 28.26 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.897 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -75.27 -42.52 54.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.345 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -40.27 -37.73 0.69 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.375 1.047 . . . . 0.0 111.045 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.025 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -55.7 -42.83 75.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.625 1.203 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . -85.81 -36.06 10.77 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.538 1.149 . . . . 0.0 110.921 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.54 82.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.228 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.974 HG11 HD13 ' B' ' 143' ' ' LEU . 68.0 t -75.08 -40.7 44.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 4.7 tmm_? -60.97 -28.44 69.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 110.249 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -33.0 74.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 52' ' ' VAL . 64.0 t -68.44 -29.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -46.45 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.399 1.062 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -67.33 -45.78 75.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 m -61.41 -43.46 98.84 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.386 1.054 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 48' ' ' VAL . 54.1 t -67.5 -39.56 82.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 111.085 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.456 ' N ' ' OD1' ' B' ' 148' ' ' ASP . 60.5 p . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.77 -23.92 15.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.5 65.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.21 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.9 m -73.39 -39.08 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.401 ' HG2' ' CD ' ' B' ' 114' ' ' GLU . 8.0 tt0 -58.59 -33.7 70.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.389 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.507 ' HD3' ' O ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -52.46 -20.31 2.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 110.364 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.803 ' HB1' HD23 ' A' ' 33' ' ' LEU . . . -59.17 -60.22 4.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . 0.585 ' O ' HD22 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -81.98 -31.01 31.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 1.6 tt0 -42.8 -27.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.382 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.885 HG23 ' HG3' ' A' ' 29' ' ' LYS . 7.3 p -57.27 -34.8 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.585 HD22 ' O ' ' B' ' 113' ' ' LYS . 1.5 mm? -60.65 -20.98 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.385 1.053 . . . . 0.0 109.239 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -57.75 -38.36 75.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.43 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 18.3 tp10 -83.18 -34.45 25.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.433 ' HB ' ' HA ' ' B' ' 116' ' ' LEU . 1.2 mt -66.78 -14.9 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -24.42 65.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 t -95.23 -30.41 14.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.951 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -92.04 118.33 68.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.05 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.862 ' OE1' HG11 ' A' ' 19' ' ' VAL . 3.9 pt-20 -110.33 -178.95 3.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.468 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 60.8 t-20 -69.35 125.15 25.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.383 1.052 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 2.5 m-20 -59.64 -23.74 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.12 -49.8 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.589 1.181 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.455 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.51 -51.32 70.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -64.44 -28.98 70.04 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.483 1.115 . . . . 0.0 109.237 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.471 ' HG3' HG23 ' B' ' 134' ' ' ILE . 12.9 tt0 -66.16 -35.45 80.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.392 1.058 . . . . 0.0 110.196 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.88 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -60.84 -42.17 97.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.833 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -70.54 -33.33 71.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -49.3 26.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . 0.88 HD11 HD13 ' B' ' 131' ' ' LEU . 2.6 pp -61.67 -18.87 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.365 1.041 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.905 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -69.14 -8.19 43.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' THR . . . . . 0.461 ' O ' ' OG1' ' B' ' 136' ' ' THR . 4.3 p -108.94 84.14 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.605 ' O ' ' HB3' ' B' ' 141' ' ' MET . 0.0 OUTLIER -110.62 175.14 2.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.396 1.06 . . . . 0.0 110.342 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.6 Cg_endo -74.8 -2.3 12.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.457 1.767 . . . . 0.0 111.035 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' HIS . . . . . 0.921 ' NE2' HD21 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -102.49 -53.26 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.623 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' PHE . . . . . 0.636 ' CE1' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -77.47 -70.81 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.37 1.044 . . . . 0.0 110.945 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' MET . . . . . 0.605 ' HB3' ' O ' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -48.3 -35.2 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -62.79 -36.1 82.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.974 HD13 HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -70.4 -35.45 73.46 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.355 1.034 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . 1.025 HD21 ' CE1' ' A' ' 42' ' ' PHE . 25.4 mt -59.23 -37.54 77.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.74 ' O ' HG23 ' B' ' 149' ' ' VAL . 37.2 tt0 -84.61 -10.63 57.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 84.9 m -95.77 -16.33 21.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' HIS . . . . . 0.737 ' O ' HG22 ' B' ' 150' ' ' VAL . 0.4 OUTLIER -109.47 -32.31 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' B' ' 106' ' ' SER . 4.7 t70 -66.47 -14.46 62.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 145' ' ' GLN . 71.8 t -60.11 -42.61 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' VAL . . . . . 0.737 HG22 ' O ' ' B' ' 147' ' ' HIS . 19.1 m -77.73 -34.84 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.73 82.09 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.476 1.11 . . . . 0.0 109.381 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.0 OUTLIER -71.0 -47.45 58.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 109.518 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -26.37 64.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 150' ' ' VAL . 1.5 t -58.1 -36.79 58.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 1.0 OUTLIER -100.71 -6.83 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 1.4 t -89.05 166.33 13.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.071 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -43.07 106.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.29 -11.48 58.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.95 173.94 8.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.53 89.88 5.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -125.18 -25.52 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.738 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -54.81 -32.82 60.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.815 ' O ' HG22 ' A' ' 9' ' ' VAL . 35.8 tt0 -61.83 -47.34 85.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -31.52 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.551 ' CG ' HD11 ' B' ' 131' ' ' LEU . 0.8 OUTLIER -59.71 -32.03 70.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.854 ' O ' HG22 ' A' ' 12' ' ' ILE . 11.5 m -43.03 -29.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.609 1.193 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.419 ' N ' ' C ' ' A' ' 8' ' ' ASP . 4.2 mt-30 -86.38 -40.19 15.66 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.332 1.02 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -73.28 -20.15 60.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.951 HD12 HD23 ' B' ' 135' ' ' LEU . 8.6 tt -65.98 -34.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.744 HD22 ' O ' ' A' ' 9' ' ' VAL . 1.3 mm? -70.41 -21.37 62.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.471 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 9.3 tt0 -75.07 -42.66 56.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.96 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.1 mt -72.88 -48.47 37.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.773 ' HB3' HD11 ' A' ' 30' ' ' LEU . 15.7 mtp -53.5 -47.09 70.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 9.6 pt-20 -70.61 -16.17 62.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.473 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.8 m80 -86.86 -35.51 18.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.564 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.96 HG13 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -71.44 -36.43 60.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.1 . . . . 0.0 109.402 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.467 ' NE2' ' C ' ' A' ' 20' ' ' GLN . 1.3 pp0? -71.05 -3.71 21.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.656 1.223 . . . . 0.0 110.325 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HA ' ' CE ' ' A' ' 21' ' ' LYS . 3.1 mmpt? -60.87 -13.57 16.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 1.224 HG21 ' CD1' ' B' ' 122' ' ' TYR . 10.7 t -79.77 -20.68 45.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.95 -40.63 2.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' H ' HG23 ' A' ' 22' ' ' THR . 13.9 mm-40 -80.99 61.03 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.382 0.696 . . . . 0.0 110.327 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.716 ' O ' ' C ' ' A' ' 26' ' ' ASN . 22.0 t -153.91 51.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.716 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.7 m-80 -3.74 102.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -62.25 -22.77 66.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.48 73.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.383 1.052 . . . . 0.0 109.343 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HE3' ' CB ' ' B' ' 118' ' ' GLU . 5.9 pttm -72.16 -43.82 64.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.167 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.773 HD11 ' HB3' ' A' ' 16' ' ' MET . 0.7 OUTLIER -54.85 -36.39 65.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.381 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HA ' ' CD ' ' A' ' 34' ' ' GLN . . . -73.76 -34.5 64.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.7 m -53.5 -27.27 24.62 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.624 1.202 . . . . 0.0 109.959 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.856 ' CD2' ' HB1' ' B' ' 112' ' ' ALA . 2.0 tm? -75.95 -41.95 49.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.732 ' CG ' HD12 ' A' ' 13' ' ' LEU . 11.6 mt-30 -61.26 -37.24 82.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -60.3 -33.26 72.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.734 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 3.5 p -90.29 -46.22 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.416 1.073 . . . . 0.0 109.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.804 ' HG ' HD11 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -58.78 -26.34 63.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.235 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 4.2 mt-30 -107.07 13.55 27.33 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.626 1.203 . . . . 0.0 110.335 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -84.66 149.84 25.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 1.176 . . . . 0.0 109.931 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -74.9 -32.16 61.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.99 ' CZ ' HD22 ' B' ' 144' ' ' LEU . 0.3 OUTLIER -49.48 -21.21 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.629 1.206 . . . . 0.0 111.076 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.25 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -82.41 -41.75 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 111.027 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.01 -34.78 13.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.18 94.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' B' ' 147' ' ' HIS . 38.4 t -78.17 -43.83 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 4.3 tmm_? -57.92 -28.14 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.201 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.66 -38.78 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -66.49 -29.97 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.14 -46.59 70.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -67.77 -45.89 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -59.93 -47.53 85.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.3 t -65.85 -40.61 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.6 t80 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 179.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.574 ' N ' ' HE2' ' B' ' 152' ' ' HIS . 30.0 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -12.38 41.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.211 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.504 ' O ' ' NH1' ' B' ' 111' ' ' ARG . . . -62.58 -39.09 92.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.543 HG12 ' O ' ' B' ' 106' ' ' SER . 2.5 p -86.38 -32.03 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.456 ' O ' ' HD3' ' B' ' 113' ' ' LYS . 56.9 mt-30 -56.33 -25.62 49.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.226 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.513 ' HD3' ' N ' ' B' ' 112' ' ' ALA . 0.0 OUTLIER -51.65 -18.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.856 ' HB1' ' CD2' ' A' ' 33' ' ' LEU . . . -66.56 -65.03 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 0.0 109.24 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -77.92 -24.33 48.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.375 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 11.6 tt0 -46.79 -28.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 110.255 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.508 HG22 ' HZ1' ' B' ' 132' ' ' LYS . 6.0 m -58.61 -34.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.241 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' B' ' 113' ' ' LYS . 0.8 OUTLIER -60.86 -22.13 63.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.2 OUTLIER -61.12 -38.06 85.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.45 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -82.43 -36.48 26.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.516 ' O ' ' O ' ' B' ' 122' ' ' TYR . 1.0 OUTLIER -63.2 -13.34 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.65 1.219 . . . . 0.0 109.379 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 4.3 m -60.52 -28.36 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.089 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.34 -37.9 14.55 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.157 . . . . 0.0 108.229 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 1.224 ' CD1' HG21 ' A' ' 22' ' ' THR . 0.4 OUTLIER -83.71 130.45 55.59 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 94.34 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 0.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.682 ' HB3' ' CE2' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -99.34 -175.97 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.454 ' N ' ' HG2' ' B' ' 124' ' ' GLU . 64.6 t-20 -97.1 118.97 34.7 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 109.206 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' B' ' 130' ' ' GLU . 32.2 m120 -49.96 -26.83 4.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.548 1.155 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -75.22 -50.74 15.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.883 ' HA ' HD22 ' A' ' 15' ' ' LEU . . . -61.2 -45.58 93.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.416 ' HB3' ' CG ' ' B' ' 124' ' ' GLU . 3.8 ptmt -71.46 -25.63 62.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.699 ' O ' HG23 ' B' ' 134' ' ' ILE . 2.6 mt-10 -61.14 -36.91 81.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.195 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.551 HD11 ' CG ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -60.06 -44.04 95.0 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.479 1.112 . . . . 0.0 109.237 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.944 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.0 -40.25 60.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -65.39 -40.02 92.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 110.276 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . 0.699 HG23 ' O ' ' B' ' 130' ' ' GLU . 2.3 pp -75.38 -16.28 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.395 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.951 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -67.69 -14.44 62.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.198 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' THR . . . . . 0.488 ' O ' ' OG1' ' B' ' 136' ' ' THR . 2.9 p -103.51 83.42 2.16 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.558 ' O ' ' HB3' ' B' ' 141' ' ' MET . 0.0 OUTLIER -113.39 176.18 1.58 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.0 Cg_endo -75.02 -1.82 11.73 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -54.04 2.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 0.0 109.627 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' PHE . . . . . 0.958 ' HA ' HD23 ' B' ' 143' ' ' LEU . 0.1 OUTLIER -76.81 -70.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' MET . . . . . 0.676 ' HE3' HD12 ' B' ' 144' ' ' LEU . 4.6 tpt -49.79 -26.41 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 111.069 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -76.65 -33.76 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.616 1.198 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.958 HD23 ' HA ' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -69.89 -35.38 74.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . 1.25 HD21 ' CE1' ' A' ' 42' ' ' PHE . 11.9 mt -69.0 -37.43 78.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.621 ' O ' HG23 ' B' ' 149' ' ' VAL . 50.4 tt0 -72.17 -8.17 53.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 72.4 m -99.15 -17.44 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.588 1.18 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' HIS . . . . . 0.702 ' HB2' HG21 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -110.24 -32.18 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.065 . . . . 0.0 109.582 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' B' ' 151' ' ' ALA . 3.6 p-10 -65.12 -15.01 61.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 145' ' ' GLN . 40.0 t -62.13 -39.33 83.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' B' ' 154' ' ' VAL . 99.6 t -62.94 -34.24 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.373 1.046 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' B' ' 148' ' ' ASP . . . -54.54 -36.94 64.84 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.546 1.154 . . . . 0.0 109.217 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . 0.612 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 17.8 m80 -70.97 -48.67 52.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.528 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.35 -25.36 65.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' B' ' 150' ' ' VAL . 1.0 OUTLIER -58.11 -36.07 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.203 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 1.1 p90 -102.34 -4.91 24.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.85 165.45 12.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.595 1.184 . . . . 0.0 109.953 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -45.38 106.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -82.54 -11.51 58.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.17 -178.97 4.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.598 0.822 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 tp -84.67 90.1 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.7 OUTLIER -124.99 16.74 8.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.686 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -53.4 -34.4 57.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 27.6 tt0 -62.78 -49.22 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.234 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -74.42 -34.04 63.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 110.337 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.562 ' O ' ' N ' ' A' ' 12' ' ' ILE . 1.1 m-20 -64.97 -33.34 75.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.992 HG22 ' CD1' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -44.1 -32.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.543 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.24 -38.31 11.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.243 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -25.78 64.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.361 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.024 HD12 HD23 ' B' ' 135' ' ' LEU . 4.7 tt -59.1 -40.28 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.735 HD12 ' HG2' ' A' ' 34' ' ' GLN . 2.8 mm? -57.48 -22.65 45.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 17.0 tt0 -88.43 -38.74 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.773 HD23 ' HG ' ' B' ' 131' ' ' LEU . 1.4 mm? -64.24 -53.46 48.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 1.075 ' CE ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -65.02 -34.6 78.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 3.1 tt0 -69.91 -18.18 63.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 4.6 m80 -84.42 -30.24 25.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.609 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.667 ' O ' ' CE1' ' B' ' 122' ' ' TYR . 0.9 OUTLIER -78.34 -37.27 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.238 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER -70.83 -4.69 25.47 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.588 1.18 . . . . 0.0 110.271 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -70.16 -7.15 39.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 1.102 HG21 ' CD2' ' B' ' 122' ' ' TYR . 1.8 t -83.74 -20.11 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.47 -45.42 2.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 25' ' ' VAL . 4.3 tp10 -80.12 61.38 3.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.414 0.714 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.715 ' O ' ' C ' ' A' ' 26' ' ' ASN . 2.5 t -154.25 46.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.715 ' C ' ' O ' ' A' ' 25' ' ' VAL . 1.8 m-80 -2.69 104.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 8.8 p-10 -61.35 -13.99 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.23 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.74 30.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.833 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.0 OUTLIER -76.57 -40.95 48.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.802 HD23 HG21 ' B' ' 115' ' ' VAL . 0.5 OUTLIER -57.72 -45.25 86.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HA ' ' HG3' ' A' ' 34' ' ' GLN . . . -72.39 -33.97 67.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB3' ' NE ' ' B' ' 111' ' ' ARG . 28.4 m -53.65 -29.59 39.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.922 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.075 HD12 ' CE ' ' A' ' 16' ' ' MET . 1.6 tm? -65.29 -30.69 71.57 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.162 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.735 ' HG2' HD12 ' A' ' 13' ' ' LEU . 22.5 mt-30 -68.25 -46.05 71.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -54.8 -27.73 43.94 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 33' ' ' LEU . 7.5 p -93.72 -47.15 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.013 HD23 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.99 -42.68 99.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -88.67 13.19 12.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.541 1.151 . . . . 0.0 110.259 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.633 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -75.47 150.02 38.34 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.139 . . . . 0.0 109.97 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.71 -32.68 62.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.731 ' CD1' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -49.84 -44.22 49.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.378 1.049 . . . . 0.0 110.999 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.827 ' CZ ' ' CE1' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -54.62 -46.55 73.9 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.92 -35.15 31.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 0.0 110.956 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.7 86.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.756 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.106 HG11 HD13 ' B' ' 143' ' ' LEU . 2.6 t -76.88 -42.11 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 5.9 tpt180 -56.71 -29.48 62.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.195 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -41.87 95.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.72 -50.32 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' O ' HG12 ' A' ' 52' ' ' VAL . 1.1 m-85 -51.62 -46.74 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.28 -39.46 82.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.503 1.127 . . . . 0.0 110.234 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 m -63.92 -48.44 76.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 49' ' ' TYR . 4.1 p -67.04 -39.17 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 109.214 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.4 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.34 -38.02 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.438 ' O ' ' NH1' ' B' ' 111' ' ' ARG . . . -68.61 -43.74 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.231 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.991 ' CG1' HD13 ' B' ' 144' ' ' LEU . 97.9 t -70.28 -33.26 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -57.19 -32.95 66.99 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.527 ' C ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -51.75 -20.62 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.609 1.193 . . . . 0.0 110.339 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.744 ' O ' HG12 ' B' ' 115' ' ' VAL . . . -60.18 -62.37 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.609 1.193 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . 0.415 ' H ' ' CD ' ' B' ' 113' ' ' LYS . 0.0 OUTLIER -81.19 -26.18 36.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 8.4 tt0 -44.23 -27.6 0.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.833 HG23 ' HG3' ' A' ' 29' ' ' LYS . 5.9 p -57.4 -34.18 45.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.191 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -58.14 -23.1 53.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -64.99 -35.46 81.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 0.1 OUTLIER -81.57 -34.4 31.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.626 HG13 HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -69.07 -14.89 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.414 1.071 . . . . 0.0 109.238 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.4 t -60.07 -27.22 66.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.5 t -92.35 -37.6 12.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 108.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 1.102 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.5 OUTLIER -83.25 121.06 76.77 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 96.54 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.405 1.74 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.788 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 2.4 pt-20 -110.8 -172.45 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -85.29 137.28 33.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.489 ' HA ' ' CD ' ' B' ' 129' ' ' LYS . 15.7 m-20 -67.96 -21.53 65.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -48.35 35.35 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.551 1.157 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.631 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -59.59 -55.03 39.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 8.4 ptmt -60.09 -27.48 67.03 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.835 ' O ' HG23 ' B' ' 134' ' ' ILE . 0.9 OUTLIER -61.99 -31.37 71.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.222 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.888 HD12 ' HB ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.04 -46.69 70.44 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.15 . . . . 0.0 109.211 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.654 ' NZ ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -70.45 -32.35 69.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.169 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -49.53 17.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . 0.835 HG23 ' O ' ' B' ' 130' ' ' GLU . 2.3 pp -63.32 -19.02 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.593 1.183 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 1.024 HD23 HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -68.79 -11.26 60.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.399 1.062 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' THR . . . . . 0.478 ' HA ' ' HG3' ' B' ' 141' ' ' MET . 7.2 p -106.17 84.49 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.408 ' CB ' ' CE1' ' B' ' 139' ' ' HIS . 0.0 OUTLIER -115.72 172.3 3.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.531 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.2 Cg_endo -74.92 -1.53 11.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.536 1.808 . . . . 0.0 111.054 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' HIS . . . . . 0.415 ' NE2' ' HD2' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -102.03 -56.39 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.546 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' PHE . . . . . 0.827 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -77.13 -68.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.082 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' MET . . . . . 0.561 ' HG2' HD12 ' B' ' 144' ' ' LEU . 0.0 OUTLIER -49.67 -44.13 47.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.367 1.042 . . . . 0.0 111.01 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -52.24 -37.12 54.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 1.106 HD13 HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -61.27 -34.57 75.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . 0.991 HD13 ' CG1' ' B' ' 109' ' ' VAL . 23.8 mt -60.81 -42.45 97.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.559 ' O ' HG23 ' B' ' 149' ' ' VAL . 23.6 tt0 -72.68 -8.98 57.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 110.338 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 22.4 m -105.13 -17.47 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.39 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 1.6 t-80 -105.29 -35.62 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.61 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.509 ' O ' ' CE1' ' B' ' 152' ' ' HIS . 3.4 p-10 -64.93 -18.84 65.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 145' ' ' GLN . 39.4 t -66.67 -36.55 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.408 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' B' ' 154' ' ' VAL . 61.6 t -63.01 -33.15 59.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' B' ' 148' ' ' ASP . . . -52.51 -41.0 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . 0.698 ' O ' ' CD1' ' B' ' 155' ' ' TYR . 3.9 m80 -74.33 -31.6 62.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 150' ' ' VAL . 0.0 OUTLIER -77.2 -26.65 53.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' B' ' 150' ' ' VAL . 0.4 OUTLIER -48.73 -36.21 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' TYR . . . . . 0.713 ' CD2' ' O ' ' B' ' 155' ' ' TYR . 7.4 p90 -108.02 35.0 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . 0.458 ' C ' ' O ' ' B' ' 155' ' ' TYR . 62.8 m -35.14 118.92 0.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -47.42 113.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.77 -11.35 3.1 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -100.87 -175.23 2.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.508 HD13 HD23 ' A' ' 5' ' ' LEU . 3.5 pp -54.31 152.22 6.57 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -125.22 17.69 8.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.304 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.897 HD21 ' CE1' ' B' ' 139' ' ' HIS . 0.2 OUTLIER -53.84 -31.73 50.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.069 . . . . 0.0 109.233 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 38.6 tt0 -67.25 -49.53 64.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 110.271 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 4' ' ' ASN . 19.5 ptt85 -76.41 -35.1 58.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -59.97 -28.73 67.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.078 . . . . 0.0 109.295 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.909 HG22 HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -44.52 -30.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.374 1.046 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.533 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.04 -38.87 12.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.391 1.057 . . . . 0.0 110.252 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -26.46 64.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.364 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.867 HD11 ' HA ' ' B' ' 132' ' ' LYS . 5.0 tt -60.78 -33.64 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.714 HD13 ' HE1' ' A' ' 16' ' ' MET . 3.9 mm? -55.49 -20.82 13.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.339 1.024 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' CG ' ' CE1' ' A' ' 18' ' ' HIS . 17.7 tt0 -87.87 -40.38 14.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.646 ' O ' HG13 ' A' ' 19' ' ' VAL . 2.2 mm? -54.97 -45.99 75.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.907 ' HB3' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -64.01 -47.7 79.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 15.4 tt0 -59.34 -16.05 20.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.257 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.445 ' CE1' ' CG ' ' A' ' 14' ' ' GLU . 1.7 m80 -85.53 -33.72 21.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 109.656 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -78.16 -34.1 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.512 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 2.0 pp0? -70.14 -3.04 14.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.352 1.032 . . . . 0.0 110.351 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' HG2' ' NE2' ' A' ' 20' ' ' GLN . 9.7 mtpp -73.24 -8.7 56.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.976 HG21 ' CD2' ' B' ' 122' ' ' TYR . 0.8 OUTLIER -84.25 -24.42 29.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.383 1.052 . . . . 0.0 110.381 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.63 -42.52 2.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.516 ' H ' HG23 ' A' ' 22' ' ' THR . 0.6 OUTLIER -76.54 61.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.356 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.881 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -171.13 59.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.247 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.712 ' C ' ' O ' ' A' ' 25' ' ' VAL . 4.2 m-80 -6.23 115.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.225 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.11 -17.2 61.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.34 -52.21 65.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.37 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.947 ' HG3' HG23 ' B' ' 115' ' ' VAL . 6.5 ptmt -68.2 -41.26 81.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.907 HD21 ' HB3' ' A' ' 16' ' ' MET . 2.9 tm? -54.99 -34.08 63.11 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.563 1.164 . . . . 0.0 109.178 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.72 -29.68 63.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.61 1.193 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.485 ' OG ' ' NH1' ' B' ' 111' ' ' ARG . 14.8 m -54.77 -46.33 74.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.063 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -60.44 -31.02 70.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.367 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.688 HE21 HD12 ' A' ' 13' ' ' LEU . 18.3 mt-30 -69.3 -37.79 77.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.472 ' O ' ' OG ' ' A' ' 39' ' ' SER . 8.6 mt-30 -63.92 -27.01 68.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.733 HG11 ' HB2' ' B' ' 112' ' ' ALA . 4.1 p -91.65 -40.05 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.909 HD13 HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -73.66 -32.22 63.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.249 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' GLN . 28.6 mt-30 -86.46 14.06 7.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 35' ' ' GLN . 39.5 m -94.12 139.51 30.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.023 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 42' ' ' PHE . 24.8 pt-20 -74.63 -31.85 62.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' HB2' ' CD2' ' B' ' 147' ' ' HIS . 0.3 OUTLIER -46.06 -21.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.765 ' CE1' ' CE2' ' B' ' 140' ' ' PHE . 0.1 OUTLIER -70.77 -42.63 70.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.387 1.055 . . . . 0.0 110.906 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.15 -14.4 66.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.62 70.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.973 ' HB ' HD13 ' B' ' 143' ' ' LEU . 4.7 t -78.71 -39.12 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.399 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HD2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -56.12 -31.87 63.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.538 1.149 . . . . 0.0 110.404 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.74 -39.24 90.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.249 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.8 -43.13 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.426 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 2.8 m-85 -51.34 -45.51 62.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.43 ' CD ' ' NH2' ' A' ' 46' ' ' ARG . 37.5 tt0 -67.79 -45.36 75.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.626 1.204 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -60.28 -47.82 84.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.18 -44.17 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 89.7 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.563 1.165 . . . . 0.0 110.935 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -87.06 -28.65 22.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.72 -38.92 80.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.909 ' HB ' HD13 ' B' ' 144' ' ' LEU . 18.2 m -76.86 -38.97 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 114' ' ' GLU . 5.9 tt0 -59.18 -34.52 72.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -53.07 -19.21 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.804 ' HB1' HD23 ' A' ' 33' ' ' LEU . . . -56.92 -61.46 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . 0.73 ' HB3' HG21 ' B' ' 136' ' ' THR . 0.0 OUTLIER -83.23 -29.88 28.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 5.0 tt0 -45.9 -28.72 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.947 HG23 ' HG3' ' A' ' 29' ' ' LYS . 12.0 p -60.08 -33.88 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.8 HD22 HG13 ' B' ' 115' ' ' VAL . 2.1 mm? -59.39 -21.21 59.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 1.0 OUTLIER -58.77 -39.33 80.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.438 ' HG2' ' ND2' ' A' ' 26' ' ' ASN . 3.0 tp10 -81.14 -35.69 31.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.406 ' O ' ' O ' ' B' ' 122' ' ' TYR . 0.9 OUTLIER -67.76 -15.61 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.426 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 19.1 m -60.96 -24.37 66.03 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.474 1.109 . . . . 0.0 110.054 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 6.0 t -93.87 -34.67 13.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.183 . . . . 0.0 108.365 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.976 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.76 118.9 70.85 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 111.019 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 94.06 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.622 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -106.4 -173.6 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' B' ' 124' ' ' GLU . 0.2 OUTLIER -77.04 118.07 19.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.199 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.581 ' HA ' ' HG2' ' B' ' 129' ' ' LYS . 2.8 p-10 -57.94 -22.68 50.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 130' ' ' GLU . 0.5 OUTLIER -67.86 -48.04 67.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 15' ' ' LEU . . . -74.85 -33.29 62.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.413 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.581 ' HG2' ' HA ' ' B' ' 126' ' ' ASN . 0.5 OUTLIER -71.25 -46.85 60.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.407 1.067 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' B' ' 126' ' ' ASN . 10.4 pt-20 -61.28 -27.31 68.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.551 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -58.89 -44.8 91.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.867 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -72.66 -42.18 64.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . 0.403 ' HB3' ' HA ' ' B' ' 130' ' ' GLU . 0.0 OUTLIER -56.69 -48.63 77.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.221 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . 0.551 HD11 HD13 ' B' ' 131' ' ' LEU . 2.7 pp -67.9 -22.68 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.672 HD23 HD12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -69.3 -11.05 60.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.332 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' THR . . . . . 0.73 HG21 ' HB3' ' B' ' 113' ' ' LYS . 17.1 p -108.75 83.92 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.464 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.557 ' HB2' ' CD2' ' B' ' 139' ' ' HIS . 0.0 OUTLIER -113.81 173.95 2.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.1 Cg_endo -75.06 -3.13 13.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.569 1.826 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' HIS . . . . . 0.897 ' CE1' HD21 ' A' ' 5' ' ' LEU . 21.4 p80 -101.5 -55.94 2.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.611 1.195 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' PHE . . . . . 0.765 ' CE2' ' CE1' ' A' ' 42' ' ' PHE . 5.6 t80 -74.89 -67.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.623 1.202 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' MET . . . . . 0.683 ' HE3' HD11 ' B' ' 144' ' ' LEU . 0.0 OUTLIER -50.59 -27.2 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.981 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -77.72 -34.01 52.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.973 HD13 ' HB ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -67.31 -46.46 73.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . 0.909 HD13 ' HB ' ' B' ' 109' ' ' VAL . 3.1 pp -64.31 -35.36 80.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.9 ' N ' HD12 ' B' ' 144' ' ' LEU . 37.6 tt0 -71.38 -16.09 62.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 18.2 m -102.49 -6.61 22.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 1.8 t-80 -111.02 -25.28 9.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.643 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.458 ' HA ' ' HB3' ' B' ' 151' ' ' ALA . 0.5 OUTLIER -65.35 -14.1 60.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.217 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 26.2 t -60.19 -47.3 92.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' B' ' 154' ' ' VAL . 1.5 p -78.9 -40.97 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.409 1.068 . . . . 0.0 109.205 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' B' ' 148' ' ' ASP . . . -52.19 -41.29 62.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . 0.668 ' O ' ' CD1' ' B' ' 155' ' ' TYR . 0.0 OUTLIER -74.57 -31.26 62.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 0.0 109.652 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 150' ' ' VAL . 0.1 OUTLIER -77.13 -24.87 51.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' B' ' 150' ' ' VAL . 0.3 OUTLIER -48.22 -32.56 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' TYR . . . . . 0.685 ' CD2' ' O ' ' B' ' 155' ' ' TYR . 9.2 p90 -114.41 35.13 4.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . 0.439 ' C ' ' O ' ' B' ' 155' ' ' TYR . 17.0 p -36.21 117.11 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -44.54 113.01 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -58.78 -11.95 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.319 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 4' ' ' ASN . 17.2 m -92.4 -177.4 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 0.734 . . . . 0.0 109.921 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.95 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.384 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 2' ' ' SER . 9.5 p30 -128.12 4.69 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.519 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -55.17 -32.8 62.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -63.07 -48.54 78.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -75.2 -38.23 60.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -72.9 -22.21 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.656 ' O ' HG22 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -49.39 -28.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.377 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -93.92 -44.43 8.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -20.04 65.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.222 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.969 HD12 HD23 ' B' ' 135' ' ' LEU . 0.9 OUTLIER -65.32 -36.32 77.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.972 HD13 ' CE ' ' A' ' 16' ' ' MET . 2.2 mm? -53.59 -21.29 6.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.514 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 23.9 tt0 -90.17 -30.8 17.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.236 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.86 ' HG ' HD23 ' B' ' 131' ' ' LEU . 1.5 mm? -66.81 -55.49 14.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.988 ' HE2' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -68.09 -33.05 73.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 1.7 tt0 -73.7 -17.82 61.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.514 ' CE1' ' HG3' ' A' ' 14' ' ' GLU . 2.4 m80 -84.11 -33.34 24.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.679 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.762 ' CG1' ' HB3' ' B' ' 128' ' ' ALA . 16.3 m -77.45 -35.72 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.66 ' CB ' HD22 ' A' ' 30' ' ' LEU . 1.9 pp0? -70.41 -4.06 20.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.073 . . . . 0.0 110.355 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.8 OUTLIER -73.55 -1.05 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 1.187 HG21 ' CD2' ' B' ' 122' ' ' TYR . 4.4 t -78.77 -15.38 58.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.549 1.156 . . . . 0.0 110.449 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.96 -45.25 2.31 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.426 1.079 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.511 ' C ' HG23 ' A' ' 25' ' ' VAL . 24.1 mm-40 -84.81 62.05 7.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 0.763 . . . . 0.0 110.352 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' B' ' 122' ' ' TYR . 47.9 t -156.69 60.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.648 ' C ' ' O ' ' A' ' 25' ' ' VAL . 3.0 m120 -16.37 101.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 8.2 t-20 -61.53 -18.7 60.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.222 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.73 70.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.558 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.3 OUTLIER -72.8 -47.25 48.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.596 1.185 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.881 HD11 ' HB2' ' A' ' 16' ' ' MET . 1.4 tp -55.44 -48.41 74.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.375 1.047 . . . . 0.0 109.247 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' ASN . . . -56.52 -33.98 66.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' ' NH1' ' B' ' 111' ' ' ARG . 3.2 m -52.99 -27.78 20.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.121 HD23 ' N ' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -71.58 -24.91 61.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 1.121 ' N ' HD23 ' A' ' 33' ' ' LEU . 39.7 mt-30 -72.12 -35.67 69.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HG2' ' HA ' ' A' ' 32' ' ' SER . 20.8 mm-40 -62.94 -32.05 73.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.965 HG11 ' HB2' ' B' ' 112' ' ' ALA . 7.7 p -89.95 -38.9 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.744 HD12 ' HE3' ' A' ' 16' ' ' MET . 7.7 mt -70.01 -38.47 75.95 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' GLN . 3.8 pt20 -91.78 4.23 53.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.697 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -63.32 142.43 58.39 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.534 1.146 . . . . 0.0 109.903 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -76.67 -38.96 53.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.374 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.711 ' CD2' ' N ' ' A' ' 42' ' ' PHE . 1.4 p90 -44.68 -34.52 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.802 ' HD1' HD21 ' B' ' 143' ' ' LEU . 0.1 OUTLIER -53.48 -34.54 58.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.186 . . . . 0.0 110.97 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' HA2' ' NH1' ' A' ' 46' ' ' ARG . . . -87.45 -24.7 35.5 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.11 -44.92 67.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 109.275 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.994 ' HB ' HD13 ' B' ' 143' ' ' LEU . 10.7 t -76.21 -41.55 37.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 109.339 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.422 ' NH1' ' HA2' ' A' ' 43' ' ' GLY . 1.1 tmm_? -56.19 -30.39 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -40.21 95.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.48 -42.84 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.477 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 12.5 t80 -53.62 -46.71 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.603 1.189 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.67 -46.73 71.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.207 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.3 m -61.0 -48.27 82.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.396 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.02 -43.41 92.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.477 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 48.9 t80 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.85 -14.84 17.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.487 ' O ' ' CD ' ' B' ' 111' ' ' ARG . . . -68.95 -45.48 70.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.82 HG11 ' HB3' ' B' ' 144' ' ' LEU . 10.1 m -63.49 -30.79 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' B' ' 114' ' ' GLU . 60.8 mt-30 -57.15 -25.85 59.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.261 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.496 ' N ' ' HD2' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -47.78 -27.99 2.3 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.621 1.2 . . . . 0.0 110.329 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.965 ' HB2' HG11 ' A' ' 36' ' ' VAL . . . -61.13 -59.34 5.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -23.7 48.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 23.4 tt0 -49.09 -28.07 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.834 HG12 ' O ' ' B' ' 112' ' ' ALA . 7.5 p -57.7 -33.12 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.723 HD13 HG13 ' B' ' 115' ' ' VAL . 0.1 OUTLIER -58.67 -22.89 58.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.581 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.1 OUTLIER -61.29 -38.14 85.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' B' ' 117' ' ' GLU . 1.0 OUTLIER -82.52 -41.22 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.773 ' CD1' HG22 ' B' ' 115' ' ' VAL . 1.8 mp -61.19 -14.42 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -23.33 58.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.407 1.067 . . . . 0.0 109.976 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 3.2 t -95.25 -30.82 13.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 108.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 1.187 ' CD2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -90.47 132.39 35.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . 0.495 ' HD2' ' HD2' ' B' ' 122' ' ' TYR . 18.3 Cg_endo -75.1 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.447 1.762 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.866 ' HB3' ' CE1' ' B' ' 122' ' ' TYR . 0.3 OUTLIER -101.01 -173.26 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.412 ' C ' ' OE1' ' B' ' 124' ' ' GLU . 30.4 t-20 -114.76 127.79 55.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 28.4 t-20 -55.85 -21.65 21.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.167 . . . . 0.0 109.348 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.67 -54.16 50.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.231 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.762 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . . . -79.28 -41.4 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.606 ' HZ3' HG12 ' B' ' 119' ' ' ILE . 0.0 OUTLIER -58.76 -42.13 88.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 0.0 109.231 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.619 ' O ' HG23 ' B' ' 134' ' ' ILE . 4.4 tp10 -58.86 -26.33 64.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.905 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -71.4 -41.22 69.86 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.191 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.914 ' HD2' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -71.34 -39.26 71.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.615 1.197 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -49.73 58.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . 0.905 HD11 HD13 ' B' ' 131' ' ' LEU . 2.7 pp -60.53 -21.72 23.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.969 HD23 HD12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -70.1 -7.85 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' THR . . . . . 0.441 ' HB ' ' HG3' ' B' ' 141' ' ' MET . 7.9 p -112.51 83.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.426 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -114.81 173.68 2.77 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.5 Cg_endo -75.04 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' HIS . . . . . 0.418 ' CE1' ' CB ' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.52 -56.05 2.38 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' PHE . . . . . 0.8 ' CE2' ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -78.05 -70.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.912 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' MET . . . . . 0.686 ' HG2' HD12 ' B' ' 144' ' ' LEU . 0.0 OUTLIER -49.22 -39.75 31.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -53.53 -43.66 68.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.994 HD13 ' HB ' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -60.76 -34.05 73.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . 0.82 ' HB3' HG11 ' B' ' 109' ' ' VAL . 50.2 mt -59.35 -40.03 85.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.701 ' O ' HG23 ' B' ' 149' ' ' VAL . 45.6 tt0 -83.41 -8.88 59.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.649 1.218 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 56.8 m -95.09 -18.22 21.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.427 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' HIS . . . . . 0.727 ' O ' HG22 ' B' ' 150' ' ' VAL . 0.3 OUTLIER -109.48 -32.73 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.639 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 148' ' ' ASP . 7.4 t0 -65.44 -13.83 59.61 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . 0.701 HG23 ' O ' ' B' ' 145' ' ' GLN . 20.5 t -59.69 -42.53 88.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' VAL . . . . . 0.769 ' O ' HG23 ' B' ' 154' ' ' VAL . 12.6 m -77.27 -35.08 21.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.8 81.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . 0.63 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.0 OUTLIER -68.9 -49.13 60.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.568 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' B' ' 152' ' ' HIS . 17.3 tt0 -71.4 -25.6 62.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.769 HG23 ' O ' ' B' ' 150' ' ' VAL . 2.1 t -58.19 -37.12 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' TYR . . . . . 0.63 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 0.9 OUTLIER -99.0 -6.05 29.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.56 165.89 12.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -44.36 107.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . 0.455 ' OE2' ' N ' ' B' ' 159' ' ' ALA . 0.0 OUTLIER -82.61 -11.3 58.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 0.0 110.249 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' ALA . . . . . 0.455 ' N ' ' OE2' ' B' ' 158' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 p -99.96 119.68 38.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.746 . . . . 0.0 109.989 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 6' ' ' GLU . 0.4 OUTLIER -59.21 107.72 0.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -66.12 -34.59 78.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -73.6 -49.6 25.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 3' ' ' LEU . 20.7 tt0 -60.52 -38.14 83.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -71.8 -41.1 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' ILE . 22.0 m-20 -72.16 -57.28 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.715 ' O ' HG22 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -43.49 -26.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.447 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.49 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -91.84 -43.17 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.399 1.062 . . . . 0.0 110.334 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -18.82 63.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.06 . . . . 0.0 110.403 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' B' ' 132' ' ' LYS . 4.6 tt -66.05 -33.68 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.36 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.993 HD13 ' HE3' ' A' ' 16' ' ' MET . 3.8 mm? -55.79 -21.14 17.78 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.465 1.103 . . . . 0.0 109.373 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 36.9 tt0 -86.45 -31.5 21.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.654 1.221 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.717 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.1 mm? -72.74 -52.32 15.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.993 ' HE3' HD13 ' A' ' 13' ' ' LEU . 2.1 ptp -66.6 -34.58 78.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 3.7 tt0 -72.76 -14.97 61.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.529 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.7 m80 -87.09 -34.95 18.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.587 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -70.94 -37.09 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.666 ' HA ' HG11 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -64.72 -4.16 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HG3' ' HA ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -77.86 7.19 6.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.406 1.066 . . . . 0.0 109.26 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.747 HG23 ' HG2' ' A' ' 24' ' ' GLU . 14.7 t -96.58 -24.91 15.81 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.622 1.201 . . . . 0.0 110.323 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.02 -47.57 2.94 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.747 ' HG2' HG23 ' A' ' 22' ' ' THR . 2.2 pm0 -72.97 62.74 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.397 0.704 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.721 ' O ' ' C ' ' A' ' 26' ' ' ASN . 11.2 p -172.86 52.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.331 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.721 ' C ' ' O ' ' A' ' 25' ' ' VAL . 1.4 m-80 -0.86 104.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -62.54 -17.96 61.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.381 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.19 70.59 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.686 ' HG3' HG23 ' B' ' 115' ' ' VAL . 5.9 ptpp? -72.44 -39.23 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.809 ' HA ' HG21 ' B' ' 115' ' ' VAL . 1.1 tm? -55.18 -35.84 65.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.233 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLN . . . -71.21 -39.29 71.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.516 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -52.38 -22.68 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.815 HD21 ' CG ' ' B' ' 132' ' ' LYS . 35.1 tp -79.93 -27.71 39.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 15.0 mt-30 -75.22 -46.96 30.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.332 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 32' ' ' SER . 1.9 pp0? -58.79 -23.53 60.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.547 ' CG1' ' HA ' ' A' ' 33' ' ' LEU . 3.6 p -91.97 -37.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD13 HD12 ' A' ' 33' ' ' LEU . 3.6 mp -76.19 -39.45 54.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 34' ' ' GLN . 13.1 mt-30 -85.18 4.67 33.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.688 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -62.05 143.28 56.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 41' ' ' PHE . 17.0 pt-20 -74.11 -46.57 41.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.688 ' CE1' ' CB ' ' A' ' 39' ' ' SER . 2.3 p90 -42.49 -36.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.956 ' CE2' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -53.81 -39.39 65.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' ARG . . . -86.15 -29.47 25.28 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.449 1.093 . . . . 0.0 111.051 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.63 -34.71 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.915 HG11 HD13 ' B' ' 143' ' ' LEU . 21.3 t -77.89 -47.94 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.22 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -55.33 -26.19 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.401 1.063 . . . . 0.0 110.271 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.492 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.9 mt-10 -62.75 -44.68 95.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.252 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.77 ' O ' HG23 ' A' ' 52' ' ' VAL . 76.2 t -68.26 -35.86 72.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.374 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -45.73 72.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.23 -43.2 87.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -65.34 -43.02 92.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 48' ' ' VAL . 76.0 t -68.44 -41.0 83.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.418 1.074 . . . . 0.0 111.019 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 98.1 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -98.35 -25.6 14.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.68 66.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.429 1.081 . . . . 0.0 109.26 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.892 ' HB ' HD13 ' B' ' 144' ' ' LEU . 16.3 m -75.26 -38.93 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.595 ' HA ' ' HZ2' ' B' ' 113' ' ' LYS . 7.1 tt0 -58.27 -34.08 70.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.9 -22.96 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.744 ' CA ' HD13 ' A' ' 33' ' ' LEU . . . -56.03 -61.23 2.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.203 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . 0.595 ' HZ2' ' HA ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -81.16 -32.07 33.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 8.9 tt0 -44.77 -29.09 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.357 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.809 HG21 ' HA ' ' A' ' 30' ' ' LEU . 2.7 p -60.28 -33.93 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.686 HD23 HG13 ' B' ' 115' ' ' VAL . 7.3 mt -60.89 -22.09 63.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.0 OUTLIER -59.97 -38.22 81.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.431 ' N ' ' OE1' ' B' ' 117' ' ' GLU . 11.7 tp10 -81.84 -23.35 36.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.237 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.585 HD11 HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -77.97 -13.01 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 0.0 109.376 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -60.68 -29.99 69.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.6 t -88.45 -34.92 17.33 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.468 1.105 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.72 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -84.03 120.13 74.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 97.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.418 1.746 . . . . 0.0 111.086 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.667 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 4.2 pt-20 -110.44 -172.18 1.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -80.73 132.73 35.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.341 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 13.4 m-20 -65.97 -22.5 66.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.43 -36.65 57.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.582 ' HB1' ' CG1' ' A' ' 19' ' ' VAL . . . -70.02 -54.54 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.378 1.049 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' B' ' 126' ' ' ASN . 5.1 ptmt -62.73 -31.65 72.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' B' ' 126' ' ' ASN . 47.3 tt0 -63.68 -36.5 84.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.35 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.804 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -58.27 -41.04 83.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.815 ' CG ' HD21 ' A' ' 33' ' ' LEU . 1.2 mmmt -72.76 -43.6 62.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.367 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -40.96 88.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . 0.804 HD11 HD13 ' B' ' 131' ' ' LEU . 2.5 pp -74.75 -18.81 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -68.29 -28.31 67.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' THR . . . . . 0.482 ' O ' ' OG1' ' B' ' 136' ' ' THR . 3.5 p -85.43 83.23 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.661 1.225 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.531 ' HB3' ' CE1' ' B' ' 139' ' ' HIS . 0.3 OUTLIER -109.96 169.58 6.24 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' B' ' 142' ' ' ALA . 18.0 Cg_endo -75.05 0.48 8.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' HIS . . . . . 0.531 ' CE1' ' HB3' ' B' ' 137' ' ' GLN . 0.0 OUTLIER -101.6 -55.76 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' PHE . . . . . 0.846 ' CE2' ' CZ ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -77.55 -67.75 0.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' MET . . . . . 0.43 ' HG3' ' HB ' ' B' ' 136' ' ' THR . 0.0 OUTLIER -50.63 -44.06 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -53.33 -41.55 65.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.383 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.915 HD13 HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -60.83 -34.87 75.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . 0.956 HD21 ' CE2' ' A' ' 42' ' ' PHE . 38.2 mt -59.8 -43.03 94.66 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.473 1.108 . . . . 0.0 109.202 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.706 ' O ' HG23 ' B' ' 149' ' ' VAL . 1.2 pt20 -78.67 -8.17 58.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.1 m -104.37 -18.79 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -105.98 -37.54 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.044 . . . . 0.0 109.623 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' B' ' 144' ' ' LEU . 13.5 p-10 -65.52 -12.87 56.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.404 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . 0.706 HG23 ' O ' ' B' ' 145' ' ' GLN . 43.1 t -62.12 -40.68 88.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' VAL . . . . . 0.881 ' O ' HG23 ' B' ' 154' ' ' VAL . 2.4 m -62.2 -34.93 66.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.37 72.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . 0.62 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 64.1 m80 -70.18 -49.18 52.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.6 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -29.68 63.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.254 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.881 HG23 ' O ' ' B' ' 150' ' ' VAL . 6.0 t -54.98 -41.54 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.368 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' TYR . . . . . 0.62 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 0.6 OUTLIER -92.2 -9.96 40.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.073 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 1.9 t -91.31 166.68 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -43.88 107.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -82.22 -11.78 58.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.461 ' O ' ' OD1' ' A' ' 4' ' ' ASN . 5.8 t -111.77 175.52 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.51 ' CD1' ' HB3' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -67.89 78.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 2' ' ' SER . 2.6 p-10 -135.05 -41.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.684 HD11 ' CE2' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -55.66 -34.07 64.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.51 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 57.6 tt0 -62.01 -49.63 75.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -74.95 -37.76 61.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.241 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 12' ' ' ILE . 8.5 m-20 -66.88 -39.67 87.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 12' ' ' ILE . 1.2 t -44.01 -28.05 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.379 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.417 ' HA ' HD23 ' A' ' 13' ' ' LEU . 4.0 mt-30 -94.73 -40.9 9.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 7.1 tpt180 -69.81 -19.0 63.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.751 HG23 HD22 ' A' ' 13' ' ' LEU . 3.6 tt -68.28 -37.51 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.757 HD13 ' CE ' ' A' ' 16' ' ' MET . 3.4 mm? -55.47 -20.51 12.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.648 1.218 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 25.8 tt0 -81.82 -46.48 14.11 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.63 1.207 . . . . 0.0 110.339 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.763 ' O ' HG13 ' A' ' 19' ' ' VAL . 2.5 mm? -57.49 -47.54 81.63 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.901 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.8 mtp -59.34 -45.97 89.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 1.2 tp10 -64.17 -15.42 59.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -87.53 -34.76 18.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 109.531 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -74.39 -33.19 32.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.644 ' HB3' HD22 ' A' ' 30' ' ' LEU . 1.1 pp0? -70.45 -3.02 15.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' N ' HE21 ' A' ' 20' ' ' GLN . 42.7 mtpt -76.45 0.72 18.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.785 HG21 ' CG ' ' B' ' 122' ' ' TYR . 6.3 t -92.38 -24.9 18.74 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.596 1.185 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.59 -44.17 3.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 122' ' ' TYR . 0.4 OUTLIER -77.91 62.95 2.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.44 0.729 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.719 ' O ' ' C ' ' A' ' 26' ' ' ASN . 7.6 p -170.95 56.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.395 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.719 ' C ' ' O ' ' A' ' 25' ' ' VAL . 5.3 m-80 -1.56 102.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 1.081 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -62.62 -30.96 71.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.27 74.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.707 ' HZ1' HG23 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -70.75 -46.46 62.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.228 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.901 HD11 ' HB3' ' A' ' 16' ' ' MET . 1.4 tp -58.29 -31.75 67.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.254 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.06 88.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' HG12 ' A' ' 36' ' ' VAL . 49.4 m -53.31 -28.8 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.833 HD12 ' HB1' ' B' ' 112' ' ' ALA . 1.7 tp -69.89 -36.92 75.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.51 ' HG2' ' CE ' ' A' ' 16' ' ' MET . 30.7 mt-30 -68.23 -38.13 81.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 39' ' ' SER . 39.2 mm-40 -61.1 -29.89 70.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' B' ' 112' ' ' ALA . 2.3 p -90.44 -45.37 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.75 HD22 HD11 ' A' ' 33' ' ' LEU . 1.9 mp -67.45 -21.95 65.52 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 27.7 mt-30 -102.4 -2.71 28.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.576 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 40.2 t -66.97 142.13 57.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLY . 2.0 mp0 -74.69 -32.34 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -40.46 -30.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 110.976 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.854 ' CE1' HD21 ' B' ' 144' ' ' LEU . 0.2 OUTLIER -60.43 -42.25 95.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 111.058 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . -70.03 -42.19 68.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.067 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.64 -35.35 70.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.743 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.029 HG13 HD12 ' B' ' 143' ' ' LEU . 24.5 t -76.88 -49.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.424 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 2.7 ppt_? -64.11 -26.44 68.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -35.65 80.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.381 1.05 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 52' ' ' VAL . 75.7 t -67.94 -29.57 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.335 1.022 . . . . 0.0 109.364 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.631 ' CD2' HD21 ' B' ' 143' ' ' LEU . 1.9 t80 -66.78 -45.06 79.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.62 -42.02 87.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -63.06 -41.49 99.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.405 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 48' ' ' VAL . 70.5 t -74.32 -43.24 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.398 1.061 . . . . 0.0 110.983 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.56 ' O ' HG12 ' B' ' 109' ' ' VAL . 8.1 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -2.39 28.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.407 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' B' ' 111' ' ' ARG . . . -64.17 -38.53 91.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.906 ' CG2' HD13 ' B' ' 144' ' ' LEU . 11.1 p -47.84 -52.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.508 ' N ' HG13 ' B' ' 109' ' ' VAL . 5.7 tt0 -58.9 -22.39 59.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' B' ' 108' ' ' ALA . 0.0 OUTLIER -62.19 -22.46 65.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.833 ' HB1' HD12 ' A' ' 33' ' ' LEU . . . -53.03 -61.35 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -74.07 -29.5 61.91 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.51 ' CB ' ' HA ' ' B' ' 111' ' ' ARG . 35.0 tt0 -46.18 -28.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.742 HG22 ' O ' ' B' ' 112' ' ' ALA . 17.0 m -60.91 -33.96 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.972 HD21 ' HB3' ' B' ' 132' ' ' LYS . 1.7 mm? -60.26 -21.8 62.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 9.0 pt-20 -59.66 -40.74 88.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.068 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.94 -29.54 35.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 110.182 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.651 HG23 ' HG3' ' B' ' 124' ' ' GLU . 0.5 OUTLIER -65.05 -15.98 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -24.64 65.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 1.1 t -95.9 -30.71 13.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 108.208 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.785 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -93.86 116.79 66.9 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 94.56 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.6 1.842 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.674 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -98.3 -174.19 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.443 ' HB3' ' CB ' ' B' ' 128' ' ' ALA . 54.6 t-20 -79.85 120.63 24.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.563 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 49.6 m-80 -51.09 -30.12 15.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.365 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.04 -40.94 60.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' B' ' 125' ' ' ASN . . . -65.95 -54.48 25.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -64.45 -30.25 71.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.672 ' O ' HG23 ' B' ' 134' ' ' ILE . 8.8 tt0 -61.7 -27.52 68.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.935 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -70.1 -39.59 75.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.634 1.209 . . . . 0.0 109.366 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.972 ' HB3' HD21 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -71.96 -38.92 69.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -70.0 -49.71 48.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . 0.935 HD11 HD13 ' B' ' 131' ' ' LEU . 2.6 pp -60.86 -18.8 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.638 1.211 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.684 HD23 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -68.86 -22.11 64.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.394 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' THR . . . . . 0.469 ' O ' ' OG1' ' B' ' 136' ' ' THR . 2.6 p -97.38 84.0 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.573 ' CB ' ' CD ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -111.94 -178.23 0.51 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' B' ' 137' ' ' GLN . 17.9 Cg_endo -75.06 -0.59 10.17 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.938 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' HIS . . . . . 0.543 ' O ' HD23 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -101.89 -56.62 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.574 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' PHE . . . . . 0.796 ' CE1' ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.73 -74.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' MET . . . . . 0.641 ' HE3' ' HA ' ' B' ' 141' ' ' MET . 1.0 OUTLIER -46.5 -34.26 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -62.92 -43.54 98.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 1.029 HD12 HG13 ' A' ' 45' ' ' VAL . 1.5 mm? -67.14 -35.63 80.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . 0.906 HD13 ' CG2' ' B' ' 109' ' ' VAL . 9.9 mt -68.47 -36.71 79.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -91.63 -7.04 51.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' B' ' 142' ' ' ALA . 8.7 m -100.11 -14.99 18.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.38 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' HIS . . . . . 0.979 ' O ' HG22 ' B' ' 150' ' ' VAL . 2.0 t-80 -113.37 -31.34 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.593 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' B' ' 151' ' ' ALA . 15.9 t0 -64.81 -14.93 60.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.16 -45.45 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' VAL . . . . . 0.979 HG22 ' O ' ' B' ' 147' ' ' HIS . 32.7 m -64.91 -31.6 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' B' ' 148' ' ' ASP . . . -53.91 -39.46 65.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.209 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . 0.544 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 51.3 m80 -70.59 -50.38 37.81 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.382 1.052 . . . . 0.0 109.598 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' B' ' 150' ' ' VAL . 1.3 t -59.04 -31.11 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.624 1.203 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 1.2 p90 -113.08 1.29 15.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 111.055 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.39 166.42 12.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.935 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -44.07 107.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.217 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.89 -11.42 58.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.59 -177.26 3.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 0.746 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.505 HD23 HD23 ' A' ' 5' ' ' LEU . 8.8 tp -56.54 149.17 17.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.451 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -115.32 19.1 15.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.958 HD21 ' HG3' ' B' ' 137' ' ' GLN . 0.3 OUTLIER -52.01 -24.19 6.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.615 1.197 . . . . 0.0 109.398 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.1 tt0 -62.23 -31.04 71.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -73.29 -36.89 66.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 12' ' ' ILE . 2.2 t0 -63.75 -19.02 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.591 ' C ' HG22 ' A' ' 12' ' ' ILE . 7.5 p -43.39 -27.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.188 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.428 ' N ' ' C ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -94.84 -42.91 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.27 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -71.24 -21.2 62.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.63 1.206 . . . . 0.0 110.248 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.836 HD12 HD23 ' B' ' 135' ' ' LEU . 4.8 tt -61.05 -33.67 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.961 HD13 ' HE1' ' A' ' 16' ' ' MET . 2.9 mm? -55.62 -18.31 7.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.503 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 23.2 tt0 -87.61 -31.03 20.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.637 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -68.25 -50.42 53.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.619 1.2 . . . . 0.0 109.262 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.961 ' HE1' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.86 -49.72 73.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 9.0 pt-20 -57.96 -19.04 27.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 14' ' ' GLU . 1.6 m80 -81.25 -35.66 30.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.64 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 16' ' ' MET . 1.3 m -78.59 -35.6 18.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.689 ' HB3' HD13 ' A' ' 30' ' ' LEU . 1.2 pt20 -67.35 -3.21 7.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -74.88 -2.92 29.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.229 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.856 HG21 ' CE2' ' B' ' 122' ' ' TYR . 13.3 t -88.08 -19.74 26.66 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.155 . . . . 0.0 110.402 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.01 -48.92 1.77 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.851 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.7 OUTLIER -75.53 59.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 110.359 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.746 HG13 HG13 ' B' ' 119' ' ' ILE . 0.2 OUTLIER -157.18 49.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.587 1.18 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.702 ' C ' ' O ' ' A' ' 25' ' ' VAL . 6.5 m-80 -9.46 107.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.587 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 12.5 t30 -62.18 -18.15 60.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.12 -46.72 79.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.565 ' CG ' HG23 ' B' ' 115' ' ' VAL . 5.5 pttp -72.41 -43.29 64.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.123 ' O ' HD22 ' A' ' 33' ' ' LEU . 10.5 tt -67.53 -27.98 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.243 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 27' ' ' ASN . . . -72.42 -30.33 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.411 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -59.73 -45.79 91.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.988 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.157 HD23 ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -56.8 -24.18 48.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.382 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 1.157 ' N ' HD23 ' A' ' 33' ' ' LEU . 48.5 mt-30 -71.84 -35.85 70.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.799 ' HB2' HH21 ' B' ' 111' ' ' ARG . 42.9 mm-40 -60.34 -30.6 69.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 0.0 110.239 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.81 HG11 ' HB2' ' B' ' 112' ' ' ALA . 11.4 p -91.19 -38.21 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.768 HD22 ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -74.06 -19.14 60.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.25 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 34' ' ' GLN . 37.3 mm-40 -107.99 13.67 25.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 42.2 t -91.79 141.07 29.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 42' ' ' PHE . 1.3 tp10 -74.94 -30.7 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.838 ' CZ ' HD22 ' B' ' 144' ' ' LEU . 0.3 OUTLIER -45.19 -21.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.985 ' CE2' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -71.31 -38.08 71.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.54 -28.45 29.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 111.005 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.05 85.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 41' ' ' PHE . 26.2 t -75.04 -39.76 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -30.24 63.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.26 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -46.53 78.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.385 1.053 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.38 -47.06 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.408 1.067 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.5 -44.31 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -67.33 -46.52 73.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.4 1.062 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 m -60.64 -42.89 97.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.27 -40.7 83.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.6 -5.35 35.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.98 72.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.452 HG11 ' HB3' ' B' ' 144' ' ' LEU . 32.9 m -85.67 -34.31 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -23.28 66.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.799 HH21 ' HB2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -57.76 -19.37 27.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.81 ' HB2' HG11 ' A' ' 36' ' ' VAL . . . -64.01 -56.29 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -79.09 -25.33 43.05 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 15.7 tt0 -50.26 -28.12 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.565 HG23 ' CG ' ' A' ' 29' ' ' LYS . 4.9 p -58.81 -33.99 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.367 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.482 HD21 ' HD3' ' B' ' 132' ' ' LYS . 1.5 mm? -56.7 -22.31 34.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.193 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 0.2 OUTLIER -59.18 -38.94 81.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.371 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.473 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 5.7 tp10 -81.99 -35.97 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.198 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.746 HG13 HG13 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -60.3 -16.14 11.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -23.46 63.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.86 -23.98 16.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.856 ' CE2' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -101.9 121.73 49.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 111.051 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 95.57 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.428 1.751 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.723 ' HB3' ' CZ ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -98.23 -173.85 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.216 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.439 ' HB3' ' HB3' ' B' ' 128' ' ' ALA . 54.8 t-20 -87.7 123.44 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.184 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.593 ' O ' ' CB ' ' B' ' 130' ' ' GLU . 21.3 m120 -51.66 -31.41 25.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.51 -49.71 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' A' ' 15' ' ' LEU . . . -59.81 -46.48 89.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -72.88 -28.7 62.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.707 ' HG2' HG23 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -62.28 -34.47 76.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.877 HD13 HD11 ' B' ' 134' ' ' ILE . 0.0 OUTLIER -59.94 -43.38 95.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.22 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.977 ' HD2' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -69.25 -35.78 76.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 0.0 109.222 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' B' ' 133' ' ' ARG . 8.6 ttm105 -71.25 -49.12 46.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.175 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . 0.877 HD11 HD13 ' B' ' 131' ' ' LEU . 2.4 pp -61.75 -22.66 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.836 HD23 HD12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -70.4 -7.58 44.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' B' ' 136' ' ' THR . 6.0 p -108.74 85.01 2.02 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.958 ' HG3' HD21 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -112.95 175.47 1.84 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.633 1.208 . . . . 0.0 110.228 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' B' ' 137' ' ' GLN . 18.0 Cg_endo -75.06 -2.88 13.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' B' ' 137' ' ' GLN . 15.7 p80 -102.72 -50.67 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.66 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' PHE . . . . . 0.756 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.38 -72.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' MET . . . . . 0.578 ' HE3' ' HA ' ' B' ' 141' ' ' MET . 3.4 tpt -48.55 -26.82 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.73 -32.64 60.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.728 HD12 ' C ' ' B' ' 143' ' ' LEU . 0.2 OUTLIER -74.96 -35.33 62.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . 0.985 HD21 ' CE2' ' A' ' 42' ' ' PHE . 17.7 mt -60.22 -36.06 76.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.641 1.213 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -78.08 -15.23 59.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.189 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 88.6 m -95.13 -18.36 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' HIS . . . . . 0.543 ' O ' ' ND1' ' B' ' 147' ' ' HIS . 21.8 t-80 -115.12 -8.14 12.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' B' ' 144' ' ' LEU . 0.0 OUTLIER -63.74 -21.24 66.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.286 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . 0.504 ' O ' ' ND1' ' B' ' 152' ' ' HIS . 41.2 t -60.14 -45.09 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.393 1.058 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' B' ' 154' ' ' VAL . 22.0 t -78.26 -39.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' B' ' 148' ' ' ASP . . . -56.42 -40.52 74.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . 0.545 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.1 OUTLIER -70.63 -47.72 58.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 109.612 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -65.55 -26.14 67.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' B' ' 150' ' ' VAL . 1.4 t -58.1 -36.77 58.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' TYR . . . . . 0.545 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 1.2 p90 -103.85 -3.62 24.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.08 166.3 14.53 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.6 1.188 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -43.69 107.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' B' ' 159' ' ' ALA . 0.0 OUTLIER -82.47 -11.35 58.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' ALA . . . . . 0.462 ' N ' ' OE1' ' B' ' 158' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.084 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -98.2 178.32 5.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 0.773 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.35 90.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.494 1.121 . . . . 0.0 109.392 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 8' ' ' ASP . 12.2 p30 -123.75 0.67 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.7 HD22 ' HG3' ' B' ' 137' ' ' GLN . 0.6 OUTLIER -63.14 -41.99 99.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.387 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.602 ' O ' HG12 ' A' ' 9' ' ' VAL . 57.1 tt0 -61.91 -48.79 78.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.065 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -71.22 -37.28 72.05 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.576 1.172 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.488 ' HB3' HD11 ' B' ' 131' ' ' LEU . 2.4 m-20 -71.97 -22.19 61.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.212 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.725 ' O ' HG22 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -50.4 -29.27 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.614 1.196 . . . . 0.0 109.231 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.672 ' HA ' HD23 ' A' ' 13' ' ' LEU . 2.9 mt-30 -91.95 -43.76 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -65.28 -19.64 66.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.344 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 9' ' ' VAL . 2.9 tt -69.11 -32.46 54.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.798 HD13 ' CE ' ' A' ' 16' ' ' MET . 3.6 mm? -59.63 -19.2 47.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 11.8 tt0 -83.23 -50.91 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.651 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.2 mt -59.14 -42.59 91.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.978 ' SD ' HD21 ' A' ' 33' ' ' LEU . 4.0 mtp -53.6 -49.13 68.46 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 20' ' ' GLN . 1.6 tt0 -70.85 -19.06 62.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.524 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 1.8 m80 -78.84 -35.95 43.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.678 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.837 HG11 ' OE1' ' B' ' 124' ' ' GLU . 4.8 m -79.46 -40.37 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.882 ' HB3' HD22 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -66.0 -3.67 5.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.163 . . . . 0.0 110.256 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.524 ' HG3' ' HA ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -68.63 -8.71 44.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 109.371 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.787 HG21 ' CG ' ' B' ' 122' ' ' TYR . 11.8 t -81.17 -23.36 38.27 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.378 1.048 . . . . 0.0 110.373 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.08 -41.93 3.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 61.54 0.79 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 0.719 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.707 ' O ' ' C ' ' A' ' 26' ' ' ASN . 2.2 p -171.67 57.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 25' ' ' VAL . 3.6 m-80 -3.43 106.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' ALA . 3.2 p-10 -61.1 -26.01 67.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.44 83.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.893 ' HG3' HG23 ' B' ' 115' ' ' VAL . 0.3 OUTLIER -72.58 -39.18 67.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.343 1.027 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.882 HD22 ' HB3' ' A' ' 20' ' ' GLN . 4.5 tp -72.46 -30.88 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' HA ' ' HG3' ' A' ' 34' ' ' GLN . . . -62.73 -48.92 77.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.47 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 2.4 m -54.35 -28.92 46.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.058 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.978 HD21 ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -71.06 -26.88 63.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.653 1.221 . . . . 0.0 109.259 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.72 ' N ' HD23 ' A' ' 33' ' ' LEU . 19.4 mt-30 -75.17 -32.35 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 32' ' ' SER . 20.7 mm-40 -66.62 -45.03 80.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.004 HG11 ' HB2' ' B' ' 112' ' ' ALA . 7.2 p -71.85 -33.15 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.556 HD21 HD13 ' A' ' 12' ' ' ILE . 4.3 mp -78.72 -40.52 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 34' ' ' GLN . 14.6 mt-30 -86.99 7.98 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.72 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -70.33 139.56 52.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.024 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.99 -35.69 59.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.72 ' CE2' ' CB ' ' A' ' 39' ' ' SER . 1.6 p90 -49.93 -31.47 12.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.421 1.076 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.98 ' CE2' HD21 ' B' ' 144' ' ' LEU . 0.1 OUTLIER -55.44 -47.59 75.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.472 1.107 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' HA2' ' CZ ' ' A' ' 46' ' ' ARG . . . -78.82 -32.53 40.36 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.558 1.162 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -68.82 -43.93 74.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.892 HG21 ' CD2' ' B' ' 147' ' ' HIS . 24.4 t -78.35 -33.39 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 42' ' ' PHE . 3.7 tmm_? -68.22 -35.0 77.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -64.6 -24.91 67.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.766 ' O ' HG12 ' A' ' 52' ' ' VAL . 88.6 t -67.87 -40.17 83.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.498 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 3.3 m-85 -62.83 -46.63 87.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -68.58 -32.79 72.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -72.85 -48.27 39.0 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.425 1.078 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 48' ' ' VAL . 14.8 p -71.17 -31.48 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 17.4 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.798 ' OG ' ' HB3' ' B' ' 151' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' B' ' 110' ' ' GLN . 0.6 OUTLIER -77.1 0.18 22.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.45 91.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.527 HG23 ' N ' ' B' ' 110' ' ' GLN . 33.4 m -51.3 -53.28 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.609 1.193 . . . . 0.0 109.349 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.527 ' N ' HG23 ' B' ' 109' ' ' VAL . 20.0 pt20 -73.4 -34.61 65.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.175 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' B' ' 111' ' ' ARG . 0.0 OUTLIER -53.68 -18.44 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.241 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 1.004 ' HB2' HG11 ' A' ' 36' ' ' VAL . . . -67.56 -51.83 45.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . 0.455 ' CD ' ' HA ' ' B' ' 110' ' ' GLN . 0.0 OUTLIER -83.11 -29.83 28.41 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' B' ' 117' ' ' GLU . 1.8 tt0 -45.83 -28.79 1.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.614 1.196 . . . . 0.0 110.234 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.893 HG23 ' HG3' ' A' ' 29' ' ' LYS . 7.3 p -58.91 -33.71 50.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.649 HD21 ' HB3' ' B' ' 132' ' ' LYS . 1.5 mm? -63.83 -22.56 66.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.388 1.055 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' B' ' 114' ' ' GLU . 1.1 pp20? -58.83 -39.5 81.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.465 ' O ' ' CD ' ' B' ' 118' ' ' GLU . 0.3 OUTLIER -80.41 -38.65 29.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.549 HD13 HD13 ' B' ' 116' ' ' LEU . 0.7 OUTLIER -57.35 -15.24 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 4.5 t -60.11 -26.19 66.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 3.5 t -94.82 -33.66 12.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 108.31 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.787 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -88.53 117.76 68.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.837 ' OE1' HG11 ' A' ' 19' ' ' VAL . 2.7 pt-20 -108.11 -174.3 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.472 ' N ' ' HG3' ' B' ' 124' ' ' GLU . 33.0 t-20 -70.72 120.32 16.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.498 ' HA ' ' CE ' ' B' ' 129' ' ' LYS . 6.0 m120 -56.32 -24.7 45.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -51.2 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.458 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -55.71 -54.27 46.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.498 ' CE ' ' HA ' ' B' ' 126' ' ' ASN . 1.5 ptpt -60.67 -27.03 67.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.454 ' O ' HG23 ' B' ' 134' ' ' ILE . 8.2 mt-10 -73.14 -31.68 64.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.716 HD13 HD11 ' B' ' 134' ' ' ILE . 0.1 OUTLIER -57.14 -40.56 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.7 ' O ' HG23 ' B' ' 136' ' ' THR . 3.0 mmmt -73.32 -37.35 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.357 1.036 . . . . 0.0 109.352 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -67.76 -41.93 82.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 110.302 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . 0.716 HD11 HD13 ' B' ' 131' ' ' LEU . 2.0 pp -71.1 -25.4 25.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.708 ' N ' HD12 ' B' ' 134' ' ' ILE . 0.4 OUTLIER -68.62 -10.79 58.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' THR . . . . . 0.7 HG23 ' O ' ' B' ' 132' ' ' LYS . 10.9 p -105.85 82.75 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.37 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.7 ' HG3' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -111.93 -177.5 0.45 Allowed Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.444 1.09 . . . . 0.0 110.357 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' B' ' 137' ' ' GLN . 18.5 Cg_endo -74.95 -1.11 10.78 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.793 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -53.78 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.664 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' PHE . . . . . 0.813 ' HA ' HD23 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -78.41 -71.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' MET . . . . . 0.604 ' HA ' ' HE3' ' B' ' 141' ' ' MET . 6.0 tpt -49.53 -26.38 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' B' ' 138' ' ' PRO . . . -75.97 -35.06 59.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' B' ' 140' ' ' PHE . 0.4 OUTLIER -66.66 -35.94 81.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.403 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . 0.98 HD21 ' CE2' ' A' ' 42' ' ' PHE . 10.1 mt -68.24 -37.09 80.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.602 1.189 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -77.01 -8.09 56.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 110.22 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.2 -5.57 13.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.395 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' HIS . . . . . 0.892 ' CD2' HG21 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -114.99 -36.73 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 144' ' ' LEU . 2.1 p-10 -65.14 -13.67 58.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . 0.472 ' O ' ' ND1' ' B' ' 152' ' ' HIS . 91.1 t -61.28 -38.76 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' VAL . . . . . 0.721 ' O ' HG23 ' B' ' 154' ' ' VAL . 76.7 t -77.49 -38.66 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . 0.798 ' HB3' ' OG ' ' B' ' 106' ' ' SER . . . -64.47 -40.16 95.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.386 1.054 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' HIS . . . . . 0.584 ' O ' ' CD2' ' B' ' 155' ' ' TYR . 0.0 OUTLIER -65.55 -49.34 69.26 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 0.0 109.706 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' B' ' 152' ' ' HIS . 1.3 tt0 -69.82 -25.36 63.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.574 1.171 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 150' ' ' VAL . 2.0 t -58.99 -36.57 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.192 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' TYR . . . . . 0.584 ' CD2' ' O ' ' B' ' 152' ' ' HIS . 0.8 OUTLIER -100.39 -8.2 23.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.51 166.73 15.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -43.34 107.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.48 -11.5 58.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.06 . . . . 0.0 110.312 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.985 . . . . . . . . 0 0 . 1 stop_ save_